UCSF

ZINC20261864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 1.36 8.64 -103.92 4 3 2 47 273.424 5
Hi High (pH 8-9.5) 1.36 7.74 -5.65 2 3 0 44 271.408 5
Mid Mid (pH 6-8) 1.36 8.07 -49.78 3 3 1 45 272.416 5

Activity (Go SEA)

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