UCSF

ZINC19621319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 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) 2.63 5.8 -37.06 3 4 1 47 249.382 5
Hi High (pH 8-9.5) 2.63 3.42 -6.58 2 4 0 45 248.374 5
Mid Mid (pH 6-8) 2.63 3.71 -28.41 3 4 1 47 249.382 5

Activity (Go SEA)

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