UCSF

ZINC34574096

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 5.79 13.2 -9 0 3 0 21 373.887 4
Lo Low (pH 4.5-6) 5.79 13.96 -33.09 1 3 0 22 374.895 4

Activity (Go SEA)

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