UCSF

ZINC33720059

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 3.83 10.9 -55.89 1 7 -1 102 424.502 5
Lo Low (pH 4.5-6) 0.17 10.89 -75.79 2 7 0 101 425.51 6

Activity (Go SEA)

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