UCSF

ZINC39239037

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.53 7.45 -9.29 0 4 0 39 291.401 4
Lo Low (pH 4.5-6) 3.53 7.9 -25.83 1 4 1 41 292.409 4

Activity (Go SEA)

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