UCSF

ZINC57707734

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 20 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) 3.89 9.55 -75.41 3 3 2 21 275.44 3
Mid Mid (pH 6-8) 3.89 8.9 -36.61 2 3 1 20 274.432 3

Activity (Go SEA)

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