UCSF

ZINC43454333

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.10 6.76 -28.43 2 2 1 16 213.389 6
Hi High (pH 8-9.5) 3.10 4.69 -0.79 1 2 0 15 212.381 6
Lo Low (pH 4.5-6) 3.10 6.18 -35.31 2 2 1 20 213.389 6
Lo Low (pH 4.5-6) 3.10 7.8 -111.14 3 2 2 21 214.397 6

Activity (Go SEA)

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