UCSF

ZINC34939740

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) -0.65 0.54 -31.81 3 4 1 46 186.279 2
Lo Low (pH 4.5-6) -0.65 1.79 -109.11 4 4 2 50 187.287 2
Lo Low (pH 4.5-6) -0.65 -0.29 -37.78 3 4 1 49 186.279 2

Activity (Go SEA)

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