UCSF

ZINC22910960

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 11 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) 0.66 2.44 -36.85 2 2 1 20 155.265 1
Mid Mid (pH 6-8) 0.66 3.1 -25.14 2 2 1 16 155.265 1
Mid Mid (pH 6-8) 0.66 4.47 -103.78 3 2 2 21 156.273 1

Activity (Go SEA)

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