UCSF

ZINC25365748

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 22 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) 3.40 4.95 -11.72 1 5 0 65 341.816 5
Mid Mid (pH 6-8) 3.40 5.02 -43.28 0 5 -1 67 340.808 5

Activity (Go SEA)

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