UCSF

ZINC43252921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.12 3.92 -50.18 3 4 1 51 304.867 6
Hi High (pH 8-9.5) 1.12 3.61 -6.21 2 4 0 50 303.859 6
Hi High (pH 8-9.5) 1.12 4.91 -32.2 3 4 1 51 304.867 6
Lo Low (pH 4.5-6) 1.12 5.2 -115.88 4 4 2 52 305.875 6

Activity (Go SEA)

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