UCSF

ZINC44471513

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 17 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) -0.90 1.04 -63.92 4 6 1 89 244.315 6
Mid Mid (pH 6-8) -0.90 -0.33 -18.53 3 6 0 85 243.307 6

Activity (Go SEA)

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