UCSF

ZINC37017805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.52 5.19 -42.5 4 4 1 70 273.356 5
Mid Mid (pH 6-8) 1.52 4.87 -7.14 3 4 0 68 272.348 5

Activity (Go SEA)

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