UCSF

ZINC37824479

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -2.20 -0.02 -57.87 3 6 1 84 241.315 6
Hi High (pH 8-9.5) -2.20 -0.41 -13.2 2 6 0 83 240.307 6
Mid Mid (pH 6-8) -2.20 2.25 -130.16 4 6 2 85 242.323 6

Activity (Go SEA)

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