UCSF

ZINC35430228

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 24 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) 2.65 9.45 -21.63 0 5 0 55 337.404 1
Lo Low (pH 4.5-6) 2.65 9.94 -50.9 1 5 1 56 338.412 1

Activity (Go SEA)

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