UCSF

ZINC40524825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 19 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) -1.65 6.31 -84.1 2 7 1 73 271.341 2
Mid Mid (pH 6-8) -1.65 3.97 -40.05 1 7 0 71 270.333 2
Mid Mid (pH 6-8) -1.65 4.18 -77.82 1 7 0 71 270.333 2
Mid Mid (pH 6-8) -1.65 1.82 -44.95 0 7 -1 70 269.325 2

Activity (Go SEA)

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