UCSF

ZINC21729526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 2.78 4.8 -67.47 2 6 1 71 380.877 5
Mid Mid (pH 6-8) 2.78 5.68 -26.71 1 6 0 70 379.869 5

Activity (Go SEA)

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