UCSF

ZINC33352799

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 5.48 11.63 -47.49 0 6 -1 80 519.419 3
Mid Mid (pH 6-8) 5.03 14.05 -8.04 1 6 0 77 520.427 3

Activity (Go SEA)

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