UCSF

ZINC19359686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 4.12 9.75 -35.87 1 2 1 8 352.34 3
Hi High (pH 8-9.5) 4.12 7.52 -1.69 0 2 0 6 351.332 3
Mid Mid (pH 6-8) 4.12 9.9 -39.77 1 2 1 8 352.34 3

Activity (Go SEA)

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