UCSF

ZINC08569262

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 38 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) 4.53 8.7 -20.46 3 8 0 108 513.594 9
Hi High (pH 8-9.5) 4.53 9.83 -46.19 2 8 -1 111 512.586 9
Hi High (pH 8-9.5) 4.30 9.26 -51.15 1 8 -1 107 512.586 9
Hi High (pH 8-9.5) 4.30 8.97 -64.39 1 8 -1 107 512.586 9

Activity (Go SEA)

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