UCSF

ZINC26647141

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 23 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) 2.07 5.38 -37.92 1 6 1 56 321.376 4
Hi High (pH 8-9.5) 2.07 3.14 -6.97 0 6 0 55 320.368 4
Mid Mid (pH 6-8) 2.07 5.61 -38.14 1 6 1 56 321.376 4

Activity (Go SEA)

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