UCSF

ZINC43252650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.40 2.28 -48.92 4 4 1 60 288.824 6
Hi High (pH 8-9.5) 1.40 1.42 -7.2 3 4 0 58 287.816 6
Lo Low (pH 4.5-6) 1.40 4.17 -125.37 5 4 2 61 289.832 6

Activity (Go SEA)

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