UCSF

ZINC15015830

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 23 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) 5.68 5.97 -8.19 2 4 0 65 365.241 2
Hi High (pH 8-9.5) 6.14 3.94 -47.19 1 4 -1 69 364.233 2
Hi High (pH 8-9.5) 6.14 4.71 -93.14 0 4 -2 71 363.225 2
Hi High (pH 8-9.5) 5.68 6.75 -39.28 1 4 -1 68 364.233 2
Hi High (pH 8-9.5) 6.14 4.63 -46.86 1 4 -1 69 364.233 2
Hi High (pH 8-9.5) 6.14 5.4 -92.44 0 4 -2 71 363.225 2
Hi High (pH 8-9.5) 5.68 7.16 -38.05 1 4 -1 68 364.233 2

Activity (Go SEA)

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