UCSF

ZINC43967123

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 1.82 5.95 -36.88 2 4 1 34 273.404 6
Hi High (pH 8-9.5) 1.82 3.47 -6.69 1 4 0 33 272.396 6
Lo Low (pH 4.5-6) 1.82 8.34 -119.13 3 4 2 39 274.412 6

Activity (Go SEA)

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