UCSF

ZINC39261652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 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) 5.38 12.87 -14.75 1 7 0 82 520.01 8
Lo Low (pH 4.5-6) 5.38 13.36 -40.18 2 7 1 84 521.018 8

Activity (Go SEA)

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