UCSF

ZINC19361660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 24 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) 2.66 7.44 -40.92 1 5 1 35 335.468 6
Hi High (pH 8-9.5) 2.66 5.22 -7.19 0 5 0 34 334.46 6
Mid Mid (pH 6-8) 2.66 7.61 -46.07 1 5 1 35 335.468 6

Activity (Go SEA)

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