UCSF

ZINC05687181

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 20 No

Popular Name: 1H-pyrazole-5-carboxylic acid, 3-methyl-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide 1H-pyrazole-5-carboxylic acid, 3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 1.57 -17.01 3 7 0 103 269.264 2 ↓
Ref Reference (pH 7) 1.18 1.7 -11.73 3 7 0 103 269.264 2 ↓
Hi High (pH 8-9.5) 1.63 -0.33 -54.44 2 7 -1 106 268.256 2 ↓
Hi High (pH 8-9.5) 1.63 -0.1 -52.58 2 7 -1 106 268.256 2 ↓
Hi High (pH 8-9.5) 1.63 -0.08 -43.58 2 7 -1 106 268.256 2 ↓
Hi High (pH 8-9.5) 2.09 0.07 -47.44 2 7 -1 109 268.256 2 ↓
Hi High (pH 8-9.5) 2.09 0.08 -59.51 2 7 -1 109 268.256 2 ↓
Hi High (pH 8-9.5) 1.63 -0.36 -59.2 2 7 -1 106 268.256 2 ↓
Mid Mid (pH 6-8) 1.18 1.66 -15.39 3 7 0 103 269.264 2 ↓
Mid Mid (pH 6-8) 2.09 -0.73 -21.22 3 7 0 107 269.264 2 ↓
Mid Mid (pH 6-8) 1.18 1.54 -18.57 3 7 0 103 269.264 2 ↓
Mid Mid (pH 6-8) 1.00 1.69 -33.68 4 7 1 101 270.272 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )