UCSF

ZINC43412047

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) 2.22 8.69 -88.31 1 5 0 62 261.325 4
Hi High (pH 8-9.5) 2.22 6.32 -54.59 0 5 -1 61 260.317 4
Lo Low (pH 4.5-6) 2.22 9.18 -117.25 2 5 1 64 262.333 4

Activity (Go SEA)

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