UCSF

ZINC05045093

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 28 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) 3.10 7.85 -38.39 0 6 -1 79 400.838 7
Mid Mid (pH 6-8) 3.54 6.32 -25.57 1 6 0 76 401.846 6
Mid Mid (pH 6-8) 2.51 7.28 -17.19 0 6 0 73 401.846 7

Activity (Go SEA)

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