UCSF

ZINC52572730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 16 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) 2.41 3.98 -28.7 2 3 1 29 231.404 8
Hi High (pH 8-9.5) 2.41 4.19 -1.21 1 3 0 24 230.396 8
Mid Mid (pH 6-8) 2.41 6.37 -98.65 3 3 2 30 232.412 8

Activity (Go SEA)

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