UCSF

ZINC12604472

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 27 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) 6.54 12.25 -5.56 0 2 0 20 441.185 3
Lo Low (pH 4.5-6) 6.54 14.37 -48.11 1 2 1 22 442.193 3

Activity (Go SEA)

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