UCSF

ZINC19844452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 1.13 1.82 -79.43 5 5 2 78 252.362 6
Mid Mid (pH 6-8) -1.78 3.64 -31.15 5 5 1 78 251.354 6
Mid Mid (pH 6-8) 1.13 1.36 -37.15 4 5 1 77 251.354 6

Activity (Go SEA)

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