UCSF

ZINC19480825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 11 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) 0.73 3.41 -92.28 5 3 2 56 159.277 6
Mid Mid (pH 6-8) -2.44 3.36 -31.73 5 3 1 56 158.269 6

Activity (Go SEA)

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