UCSF

ZINC45630712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.32 6.3 -35.16 2 2 1 16 209.357 3
Mid Mid (pH 6-8) 2.32 5.53 -36.47 2 2 1 20 209.357 3
Lo Low (pH 4.5-6) 2.32 7.55 -103.32 3 2 2 21 210.365 3

Activity (Go SEA)

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