UCSF

ZINC39964149

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 3.56 13.57 -13.15 1 6 0 67 394.862 4
Mid Mid (pH 6-8) 3.56 14.04 -35.59 2 6 1 68 395.87 4

Activity (Go SEA)

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