UCSF

ZINC36168879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.45 6.93 -40.35 4 4 1 59 273.404 4
Hi High (pH 8-9.5) 2.45 4.69 -7.27 3 4 0 58 272.396 4
Lo Low (pH 4.5-6) 2.45 7.36 -100.63 5 4 2 60 274.412 4

Activity (Go SEA)

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