UCSF

ZINC17957786

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 20 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) 3.25 8.82 -10.05 1 4 0 43 291.42 5
Mid Mid (pH 6-8) 3.98 8.66 -44.6 0 4 -1 40 290.412 5

Activity (Go SEA)

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