UCSF

ZINC11995224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 19 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) 3.65 8.03 -8.43 3 3 0 51 249.317 2
Mid Mid (pH 6-8) 3.65 8.46 -24.77 4 3 1 52 250.325 2

Activity (Go SEA)

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