UCSF

ZINC34671921

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 2.80 8.78 -17.41 1 8 0 84 466.444 4
Lo Low (pH 4.5-6) 2.80 9.11 -50.63 2 8 1 85 467.452 4

Activity (Go SEA)

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