UCSF

ZINC43285195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 15 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) 2.13 4.17 -40.91 3 2 1 31 290.25 4
Hi High (pH 8-9.5) 2.13 5.62 -30.26 3 2 1 30 290.25 4
Hi High (pH 8-9.5) 2.13 3.85 -1.3 2 2 0 29 289.242 4
Lo Low (pH 4.5-6) 2.13 5.9 -109.51 4 2 2 32 291.258 4

Activity (Go SEA)

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