UCSF

ZINC55060949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 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) 1.21 1.88 -39.19 3 5 1 63 240.327 5
Mid Mid (pH 6-8) 1.21 0.67 -10.37 2 5 0 61 239.319 5

Activity (Go SEA)

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