UCSF

ZINC38580757

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 0.82 5.23 -16.95 1 6 0 62 317.389 4
Mid Mid (pH 6-8) 0.82 6.56 -55.54 2 6 1 66 318.397 4

Activity (Go SEA)

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