UCSF

ZINC57463378

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 20 No

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) 0.52 7.58 -52.56 0 7 -1 102 292.296 3
Lo Low (pH 4.5-6) 0.52 7.87 -51.14 1 7 0 103 293.304 3

Activity (Go SEA)

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