UCSF

ZINC37851814

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) 1.57 1.99 -40.17 3 4 1 49 247.403 12
Mid Mid (pH 6-8) 1.57 3.1 -35.84 3 4 1 46 247.403 12

Activity (Go SEA)

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