UCSF

ZINC42458596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.82 2.21 -108.52 4 3 2 41 190.331 6
Hi High (pH 8-9.5) 0.82 1.79 -26.56 3 3 1 40 189.323 6
Hi High (pH 8-9.5) 0.82 1 -44.65 3 3 1 40 189.323 6

Activity (Go SEA)

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