UCSF

ZINC39120697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 9 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) -0.74 -1.08 -38.8 3 3 1 44 128.199 2
Hi High (pH 8-9.5) -0.74 -2.43 -2.98 2 3 0 39 127.191 2
Lo Low (pH 4.5-6) -0.74 -1.14 -92.34 4 3 2 45 129.207 2

Activity (Go SEA)

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