UCSF

ZINC09272722

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 4.35 12.85 -54.37 0 9 -1 125 501.515 10
Mid Mid (pH 6-8) 3.77 0.99 -21.05 0 9 0 118 502.523 10
Mid Mid (pH 6-8) 4.80 11.6 -29.29 1 9 0 122 502.523 9

Activity (Go SEA)

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