UCSF

ZINC19361446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 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) 2.51 8.51 -50.6 1 7 1 54 417.526 9
Mid Mid (pH 6-8) 2.51 7.9 -44.35 1 7 1 54 417.526 9
Mid Mid (pH 6-8) 2.51 6.13 -10.69 0 7 0 53 416.518 9

Activity (Go SEA)

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