UCSF

ZINC34557113

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 No

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) 6.45 16.15 -47.81 2 9 1 105 478.658 18
Mid Mid (pH 6-8) 6.45 13.8 -10.47 1 9 0 104 477.65 18

Activity (Go SEA)

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