UCSF

ZINC34186852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 13 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) 1.42 6.39 -32.46 1 2 1 17 177.271 1
Lo Low (pH 4.5-6) 1.42 6.88 -89.37 2 2 2 19 178.279 1

Activity (Go SEA)

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