UCSF

ZINC43898962

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) 2.82 5.52 -42.24 2 3 1 29 263.405 5
Hi High (pH 8-9.5) 2.82 5.37 -3.16 1 3 0 24 262.397 5
Lo Low (pH 4.5-6) 2.82 7.46 -114.56 3 3 2 30 264.413 5

Activity (Go SEA)

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