UCSF

ZINC34332156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) -0.54 -0.63 -42.54 2 4 1 38 187.263 2
Hi High (pH 8-9.5) -0.54 -2 -3.99 1 4 0 34 186.255 2
Lo Low (pH 4.5-6) -0.54 1.68 -99.55 3 4 2 40 188.271 2
Lo Low (pH 4.5-6) -0.54 0.31 -32.58 2 4 1 35 187.263 2

Activity (Go SEA)

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