UCSF

ZINC05128730

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 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) 3.66 10.36 -44.95 1 6 -1 69 408.29 6
Mid Mid (pH 6-8) 2.93 10.59 -16.27 2 6 0 72 409.298 6

Activity (Go SEA)

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