UCSF

ZINC41536878

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 3.72 11.14 -61.83 1 4 -1 69 324.4 4
Mid Mid (pH 6-8) 3.72 8.76 -12.87 2 4 0 66 325.408 4

Activity (Go SEA)

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