UCSF

ZINC53402556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 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) 1.89 3.42 -9.19 0 3 0 25 236.34 5
Mid Mid (pH 6-8) 1.89 5.77 -36.84 1 3 1 27 237.348 5

Activity (Go SEA)

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