UCSF

ZINC43968927

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.89 9.99 -120.94 3 3 2 34 291.483 7
Hi High (pH 8-9.5) 2.89 7.48 -36.2 2 3 1 33 290.475 7
Mid Mid (pH 6-8) 2.88 8.91 -39.05 2 3 1 29 290.475 7

Activity (Go SEA)

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