UCSF

ZINC19361717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 3.78 8.84 -30.76 1 2 1 8 261.433 5
Hi High (pH 8-9.5) 3.78 6.98 -1.36 0 2 0 6 260.425 5
Mid Mid (pH 6-8) 3.78 9.28 -34.69 1 2 1 8 261.433 5

Activity (Go SEA)

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