UCSF

ZINC19844134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) 0.05 1.92 -43.8 3 3 1 44 194.302 6
Mid Mid (pH 6-8) 0.05 4.24 -104.68 4 3 2 45 195.31 6

Activity (Go SEA)

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