UCSF

ZINC37787584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.39 6.48 -5.5 1 4 0 39 265.401 4
Mid Mid (pH 6-8) 3.39 6.61 -22.12 2 4 1 40 266.409 4

Activity (Go SEA)

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