UCSF

ZINC43973455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 16 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) 2.53 5.08 -33.22 2 3 1 29 231.404 10
Hi High (pH 8-9.5) 2.53 4.06 -0.64 1 3 0 24 230.396 10
Mid Mid (pH 6-8) 2.53 5.92 -28.94 2 3 1 26 231.404 10

Activity (Go SEA)

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