UCSF

ZINC43893228

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.61 6.41 -35.58 2 3 1 29 269.453 5
Mid Mid (pH 6-8) 3.61 8.36 -116.09 3 3 2 30 270.461 5

Activity (Go SEA)

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