UCSF

ZINC05287605

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 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) 3.68 5.49 -11.45 1 6 0 85 313.309 6
Hi High (pH 8-9.5) 3.68 7.46 -45.89 0 6 -1 88 312.301 6
Lo Low (pH 4.5-6) 3.68 7.19 -36.59 2 6 1 87 314.317 6
Lo Low (pH 4.5-6) 3.68 5.93 -40.32 2 6 1 87 314.317 6

Activity (Go SEA)

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