UCSF

ZINC57354888

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 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) 3.07 2.54 -6.47 3 3 0 52 312.196 5
Lo Low (pH 4.5-6) 3.07 3.96 -39.17 4 3 1 57 313.204 5

Activity (Go SEA)

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