UCSF

ZINC37843372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.64 -2.4 -47.46 3 7 -1 120 326.807 7
Mid Mid (pH 6-8) 0.64 -2.33 -41.22 3 7 -1 120 326.807 7
Mid Mid (pH 6-8) 0.64 -2.45 -17.09 4 7 0 118 327.815 7
Mid Mid (pH 6-8) 0.64 -2.28 -103.77 2 7 -2 123 325.799 7

Activity (Go SEA)

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