UCSF

ZINC45464649

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 28 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) 2.94 9.1 -56.38 3 5 1 63 400.93 7
Mid Mid (pH 6-8) 2.94 7.13 -16.54 2 5 0 61 399.922 7

Activity (Go SEA)

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