UCSF

ZINC05408108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 29 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) 3.49 7.39 -55.49 1 6 -1 88 394.447 6
Mid Mid (pH 6-8) 2.90 -0.85 -12.8 1 6 0 81 395.455 6
Mid Mid (pH 6-8) 3.93 5.49 -27.39 2 6 0 85 395.455 5

Activity (Go SEA)

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