UCSF

ZINC48418586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.47 2.04 -36.29 2 5 1 46 244.359 7
Mid Mid (pH 6-8) 0.47 1.95 -37.7 2 5 1 46 244.359 7
Mid Mid (pH 6-8) 0.47 -0.25 -8.17 1 5 0 45 243.351 7

Activity (Go SEA)

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