UCSF

ZINC13122242

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) 3.90 3.1 -28.9 4 6 1 84 341.416 6
Ref Reference (pH 7) 2.98 6.6 -12.45 3 6 0 79 340.408 6
Ref Reference (pH 7) 2.81 6.82 -36.52 4 6 1 77 341.416 7
Hi High (pH 8-9.5) 3.44 4.67 -43.67 2 6 -1 82 339.4 6

Activity (Go SEA)

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