UCSF

ZINC43903006

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.83 9.02 -101.56 3 3 2 30 264.413 6
Mid Mid (pH 6-8) 2.83 7.68 -29.38 2 3 1 26 263.405 6
Mid Mid (pH 6-8) 2.83 7.76 -36.12 2 3 1 29 263.405 6

Activity (Go SEA)

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