UCSF

ZINC11616921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 24 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) 2.88 0.77 -10.17 0 5 0 46 367.232 6
Mid Mid (pH 6-8) 2.88 1.06 -39.99 1 5 1 47 368.24 6

Activity (Go SEA)

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