UCSF

ZINC43895395

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.10 5.5 -30.24 2 4 1 35 271.425 4
Hi High (pH 8-9.5) 2.10 3.61 -2.31 1 4 0 34 270.417 4
Hi High (pH 8-9.5) 2.10 4.92 -34.78 2 4 1 38 271.425 4

Activity (Go SEA)

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