UCSF

ZINC13042902

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 26 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) 5.08 10.67 -13.46 0 4 0 47 357.438 3
Lo Low (pH 4.5-6) 5.08 11.16 -31.46 1 4 1 49 358.446 3

Activity (Go SEA)

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