UCSF

ZINC37872720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 3.30 5.49 -5.19 2 3 0 41 285.387 6
Mid Mid (pH 6-8) 3.30 6.67 -38.25 3 3 1 46 286.395 6

Activity (Go SEA)

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