UCSF

ZINC37324810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 3.08 6.52 -45.04 2 4 1 38 358.3 6
Mid Mid (pH 6-8) 3.08 8.23 -34.95 2 4 1 35 358.3 6

Activity (Go SEA)

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