UCSF

ZINC43396373

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.32 3.68 -46.5 3 4 1 63 258.345 6
Hi High (pH 8-9.5) 1.32 3.26 -8.52 2 4 0 61 257.337 6
Lo Low (pH 4.5-6) 1.32 4.14 -88.39 4 4 2 64 259.353 6

Activity (Go SEA)

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