UCSF

ZINC20608741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 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) 1.43 5.58 -27.92 2 3 1 28 227.372 2
Hi High (pH 8-9.5) 1.43 3.45 -2.06 1 3 0 27 226.364 2
Mid Mid (pH 6-8) 1.43 5.73 -1.25 3 3 0 29 228.38 2

Activity (Go SEA)

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