UCSF

ZINC41105725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) 2.78 6.56 -9.73 0 4 0 33 290.407 5
Mid Mid (pH 6-8) 2.78 8.75 -46.2 1 4 1 34 291.415 5

Activity (Go SEA)

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