UCSF

ZINC16676186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 27 No

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) 5.76 10.09 -18.62 1 6 0 91 375.409 3
Hi High (pH 8-9.5) 6.22 8.9 -46.25 0 6 -1 94 374.401 3
Hi High (pH 8-9.5) 6.22 8.23 -47.8 0 6 -1 94 374.401 3

Activity (Go SEA)

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