UCSF

ZINC27090696

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 28 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) 0.25 6.11 -91.28 5 8 0 139 379.42 7
Lo Low (pH 4.5-6) 0.25 6.52 -118.85 6 8 1 140 380.428 7

Activity (Go SEA)

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