UCSF

ZINC23066996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 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) 0.01 3.83 -48.5 3 3 1 40 247.362 1
Hi High (pH 8-9.5) 0.01 3.52 -4.06 2 3 0 38 246.354 1
Lo Low (pH 4.5-6) 0.01 5.75 -129.87 4 3 2 41 248.37 1

Activity (Go SEA)

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