UCSF

ZINC42594136

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 1.95 5.36 -108.31 4 3 2 46 212.337 7
Mid Mid (pH 6-8) 1.95 4.14 -34.53 3 3 1 42 211.329 7
Mid Mid (pH 6-8) 1.95 4.19 -34.43 3 3 1 42 211.329 7

Activity (Go SEA)

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