UCSF

ZINC44646745

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.53 4.32 -93.45 4 4 2 50 215.341 6
Hi High (pH 8-9.5) 0.53 2.95 -38.44 3 4 1 46 214.333 6

Activity (Go SEA)

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