UCSF

ZINC23373712

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.15 6.79 -44.69 2 5 1 46 385.528 9
Mid Mid (pH 6-8) 3.15 6.65 -40.3 2 5 1 46 385.528 9
Mid Mid (pH 6-8) 3.15 4.52 -7.56 1 5 0 45 384.52 9

Activity (Go SEA)

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