UCSF

ZINC08702412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 3.23 4.92 -3.11 2 2 0 35 179.263 4
Lo Low (pH 4.5-6) 3.23 4.8 -35.95 3 2 1 37 180.271 4

Activity (Go SEA)

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