UCSF

ZINC37809539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.43 1.34 -37.19 4 4 1 68 217.333 7
Mid Mid (pH 6-8) 0.43 1.04 -7.96 3 4 0 67 216.325 7

Activity (Go SEA)

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