UCSF

ZINC39681366

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 1.52 7.42 -70.09 3 9 1 101 529.061 7
Lo Low (pH 4.5-6) 1.52 7.74 -110.15 4 9 2 102 530.069 7

Activity (Go SEA)

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