UCSF

ZINC34556867

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 0.13 7.84 -125.69 1 7 -2 126 291.259 7
Lo Low (pH 4.5-6) 0.13 5.87 -74.11 2 7 -1 124 292.267 7

Activity (Go SEA)

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