UCSF

ZINC36881304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.15 -1.43 -12.42 1 5 0 61 270.782 6
Lo Low (pH 4.5-6) -0.15 0.87 -44.68 2 5 1 62 271.79 6

Activity (Go SEA)

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