UCSF

ZINC34577107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 3.35 10.95 -33.85 1 3 1 31 288.411 4
Hi High (pH 8-9.5) 3.35 8.87 -5.42 0 3 0 30 287.403 4

Activity (Go SEA)

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