UCSF

ZINC22841716

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 20 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) 3.48 5.24 -10.02 1 3 0 46 301.289 3
Mid Mid (pH 6-8) 3.48 5.31 -39.68 0 3 -1 48 300.281 3

Activity (Go SEA)

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