UCSF

ZINC05343034

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 1.88 4.43 -61.01 1 6 -1 90 352.366 6
Mid Mid (pH 6-8) 2.33 -2.61 -26.61 2 6 0 87 353.374 5
Mid Mid (pH 6-8) 1.30 -2.3 -20.22 1 6 0 83 353.374 6

Activity (Go SEA)

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