UCSF

ZINC33719653

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 4.54 12.62 -11.04 0 5 0 47 449.601 3
Mid Mid (pH 6-8) 4.54 14.89 -47 1 5 1 48 450.609 3

Activity (Go SEA)

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