UCSF

ZINC34691892

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.39 7.19 -16.2 0 6 0 45 477.527 8
Mid Mid (pH 6-8) 2.39 9.44 -53.36 1 6 1 46 478.535 8
Lo Low (pH 4.5-6) 2.39 11.72 -105.83 2 6 2 48 479.543 8

Activity (Go SEA)

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