UCSF

ZINC06926206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 3.84 5.18 -38.71 1 4 -1 64 313.333 3
Hi High (pH 8-9.5) 4.78 4.2 -41.49 1 4 -1 69 313.333 2
Hi High (pH 8-9.5) 4.78 3.51 -42.73 1 4 -1 69 313.333 2

Activity (Go SEA)

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