UCSF

ZINC43253714

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) 2.02 1.52 -36.4 5 4 1 74 302.851 4
Hi High (pH 8-9.5) 2.02 2.51 -29.96 5 4 1 74 302.851 4
Hi High (pH 8-9.5) 2.02 0.13 -6.09 4 4 0 72 301.843 4
Lo Low (pH 4.5-6) 2.02 2.8 -112.15 6 4 2 75 303.859 4

Activity (Go SEA)

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