UCSF

ZINC40149550

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 3.73 10.21 -52.6 3 4 1 57 379.455 9
Mid Mid (pH 6-8) 3.73 8.04 -18.06 2 4 0 56 378.447 9

Activity (Go SEA)

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