UCSF

ZINC31961633

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.99 -0.49 -57.55 3 8 -1 126 296.303 9
Mid Mid (pH 6-8) -0.99 -0.07 -63.11 4 8 0 127 297.311 9
Lo Low (pH 4.5-6) -0.99 -1.19 -37.31 5 8 1 124 298.319 9

Activity (Go SEA)

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