UCSF

ZINC61902310

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2011 22 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) 2.78 7.22 -13.87 1 4 0 56 299.418 5
Mid Mid (pH 6-8) 2.78 8.95 -38.81 2 4 1 57 300.426 5

Activity (Go SEA)

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