UCSF

ZINC05376330

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 4.99 6.13 -9.61 2 4 0 65 324.405 2
Hi High (pH 8-9.5) 5.45 4.08 -50.32 1 4 -1 69 323.397 2
Hi High (pH 8-9.5) 5.45 4.78 -49.49 1 4 -1 69 323.397 2
Mid Mid (pH 6-8) 4.50 6.14 -50.89 1 4 -1 64 323.397 3

Activity (Go SEA)

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