UCSF

ZINC37984947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 3.57 5.58 -47.06 3 3 1 46 349.314 7
Mid Mid (pH 6-8) 3.57 4.23 -5.67 2 3 0 41 348.306 7

Activity (Go SEA)

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