UCSF

ZINC06629137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 26 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) 5.55 11.61 -48.94 2 4 0 43 355.502 9
Mid Mid (pH 6-8) 5.55 11.48 -9.4 1 4 0 42 354.494 9

Activity (Go SEA)

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