UCSF

ZINC59811882

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 16 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) 4.18 4.94 -42.3 3 2 1 37 263.188 4
Mid Mid (pH 6-8) 4.18 5.71 -51.48 2 2 0 40 262.18 4

Activity (Go SEA)

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