UCSF

ZINC36456981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 17 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) 1.87 6.72 -47.62 0 4 -1 59 235.259 3
Lo Low (pH 4.5-6) 1.87 4.73 -9.54 1 4 0 56 236.267 3

Activity (Go SEA)

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