UCSF

ZINC08568099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 25 No

Popular Name: 6'-amino-3'-butyl-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile 6'-amino-3'-butyl-1,1',3,4'-tetr…

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Other Names:

MFCD04165287

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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) 2.14 1.74 -11.9 4 7 0 117 335.367 3 ↓
Ref Reference (pH 7) 2.14 0.81 -12.15 4 7 0 117 335.367 3 ↓
Hi High (pH 8-9.5) 2.38 -0.89 -42.05 2 7 -1 119 334.359 3 ↓
Mid Mid (pH 6-8) 2.33 -1.07 -10.68 4 7 0 120 335.367 3 ↓
Lo Low (pH 4.5-6) 2.14 1.8 -56.25 5 7 1 118 336.375 3 ↓

Activity (Go SEA)

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