UCSF

ZINC05202354

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.06 9.4 -8.67 0 2 0 20 273.401 1
Lo Low (pH 4.5-6) 4.06 9.34 -28.12 1 2 1 22 274.409 1

Activity (Go SEA)

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