UCSF

ZINC37080983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 Yes

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) 0.97 4.77 -110.45 4 2 2 32 170.3 2
Hi High (pH 8-9.5) 0.97 4.52 -28.96 3 2 1 30 169.292 2
Hi High (pH 8-9.5) 0.97 2.71 -36.98 3 2 1 31 169.292 2

Activity (Go SEA)

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