UCSF

ZINC49550638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 No

Popular Name: 2-[3-[(4S)-3-methyl-7-oxo-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy]acetamide 2-[3-[(4S)-3-methyl-7-oxo-4,8-di…

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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) 0.66 0.27 -16.53 4 7 0 114 332.385 4 ↓
Ref Reference (pH 7) 0.47 2.7 -16.45 4 7 0 110 332.385 4 ↓
Mid Mid (pH 6-8) 0.47 2.65 -17.84 4 7 0 110 332.385 4 ↓
Mid Mid (pH 6-8) 0.66 0.2 -18.57 4 7 0 114 332.385 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.