UCSF

ZINC19486232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 21 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) -0.17 1.37 -11.45 3 6 0 79 290.367 4
Mid Mid (pH 6-8) -0.17 3.63 -47.12 4 6 1 80 291.375 4

Activity (Go SEA)

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