UCSF

ZINC45686923

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 0.54 2.54 -36.72 6 6 1 98 280.396 8
Lo Low (pH 4.5-6) 0.54 2.92 -79.26 7 6 2 100 281.404 8

Activity (Go SEA)

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