UCSF

ZINC37021241

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) 1.48 5.26 -44.36 4 4 1 70 273.356 6
Mid Mid (pH 6-8) 1.48 4.97 -9.85 3 4 0 68 272.348 6

Activity (Go SEA)

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