UCSF

ZINC37259755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 3.41 7.35 -33.54 2 2 1 16 225.4 5
Hi High (pH 8-9.5) 3.41 5.31 -0.4 1 2 0 15 224.392 5
Lo Low (pH 4.5-6) 3.41 6.51 -36.27 2 2 1 20 225.4 5
Lo Low (pH 4.5-6) 3.41 8.55 -110.59 3 2 2 21 226.408 5

Activity (Go SEA)

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