UCSF

ZINC05409093

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 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) 2.62 4.23 -44.07 1 6 -1 88 352.366 5
Mid Mid (pH 6-8) 3.07 -1.99 -13.73 2 6 0 84 353.374 4
Mid Mid (pH 6-8) 2.04 -1.57 -17.34 1 6 0 81 353.374 5
Mid Mid (pH 6-8) 3.07 3.51 -25.37 2 6 0 85 353.374 4

Activity (Go SEA)

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