UCSF

ZINC33698061

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 38 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) 4.90 13.61 -57.05 0 7 -1 92 513.614 11
Lo Low (pH 4.5-6) 4.90 12.32 -21.02 1 7 0 89 514.622 11
Lo Low (pH 4.5-6) 4.90 12.77 -52.6 2 7 1 90 515.63 11

Activity (Go SEA)

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