UCSF

ZINC40989209

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 13 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) -0.66 -0.05 -117.13 6 4 2 75 187.287 3
Mid Mid (pH 6-8) -0.66 -1.85 -43.09 5 4 1 74 186.279 3

Activity (Go SEA)

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