UCSF

ZINC37792442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.61 3.71 -62.39 2 5 -1 89 270.349 5
Lo Low (pH 4.5-6) 1.61 1.97 -14.15 3 5 0 87 271.357 5

Activity (Go SEA)

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