UCSF

ZINC37079165

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 2.57 8.22 -40.61 1 4 0 58 230.267 3
Mid Mid (pH 6-8) 2.57 7.88 -49.25 0 4 -1 56 229.259 3

Activity (Go SEA)

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