UCSF

ZINC42579806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.70 7.19 -44.71 3 2 1 31 277.476 8
Mid Mid (pH 6-8) 3.70 9.34 -28.23 3 2 1 30 277.476 8
Mid Mid (pH 6-8) 3.70 8.83 -122.54 4 2 2 32 278.484 8

Activity (Go SEA)

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