UCSF

ZINC42908949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 3.79 8.32 -46.44 3 2 1 31 348.308 5
Mid Mid (pH 6-8) 3.79 9.81 -127.99 4 2 2 32 349.316 5

Activity (Go SEA)

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