UCSF

ZINC31933264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 3.82 9.06 -45.96 2 4 1 37 335.475 4
Hi High (pH 8-9.5) 3.82 7.64 -10.05 1 4 0 33 334.467 4
Mid Mid (pH 6-8) 3.82 9.48 -81.73 3 4 2 38 336.483 4

Activity (Go SEA)

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