UCSF

ZINC43413701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.18 1.66 -67.79 4 6 0 106 284.356 5
Lo Low (pH 4.5-6) 0.18 -0.31 -47.64 5 6 1 103 285.364 5

Activity (Go SEA)

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