UCSF

ZINC09192814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 37 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) 4.00 9.28 -58.37 1 9 -1 129 519.555 10
Mid Mid (pH 6-8) 4.44 8.39 -31.46 2 9 0 126 520.563 9
Mid Mid (pH 6-8) 3.41 9.37 -22.22 1 9 0 123 520.563 10

Activity (Go SEA)

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