UCSF

ZINC43978910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.68 5.7 -30.06 2 4 1 35 285.452 4
Hi High (pH 8-9.5) 2.68 4.58 -2.26 1 4 0 34 284.444 4
Hi High (pH 8-9.5) 2.68 5.31 -35.87 2 4 1 38 285.452 4

Activity (Go SEA)

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