UCSF

ZINC37112915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.86 7.93 -114.77 4 2 2 32 270.505 6
Hi High (pH 8-9.5) 3.86 7.69 -29.32 3 2 1 30 269.497 6
Hi High (pH 8-9.5) 3.86 6.65 -38.71 3 2 1 31 269.497 6

Activity (Go SEA)

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