UCSF

ZINC43252659

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) 1.80 2.62 -46.47 4 4 1 60 302.851 6
Hi High (pH 8-9.5) 1.80 2.86 -5.92 3 4 0 58 301.843 6
Lo Low (pH 4.5-6) 1.80 4.78 -123.5 5 4 2 61 303.859 6

Activity (Go SEA)

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