UCSF

ZINC41195418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 4.41 9.25 -33.99 2 2 1 29 307.87 5
Mid Mid (pH 6-8) 4.41 8.33 -5.47 1 2 0 25 306.862 5

Activity (Go SEA)

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