UCSF

ZINC41067958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 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) 0.87 0.05 -7.86 3 5 0 84 276.383 3
Lo Low (pH 4.5-6) 0.87 -0.11 -49.05 4 5 1 85 277.391 3

Activity (Go SEA)

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