UCSF

ZINC13115246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 4.43 6.27 -55.79 0 5 -1 71 342.758 3
Ref Reference (pH 7) 2.96 7.04 -11.75 0 5 0 65 343.766 3
Ref Reference (pH 7) 4.43 5.77 -53.76 0 5 -1 71 342.758 3
Mid Mid (pH 6-8) 4.43 4.91 -12.38 1 5 0 68 343.766 3
Mid Mid (pH 6-8) 4.43 5.4 -11.83 1 5 0 68 343.766 3
Mid Mid (pH 6-8) 2.96 6.52 -11.35 0 5 0 65 343.766 3

Activity (Go SEA)

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