UCSF

ZINC43800947

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 0.55 3.71 -60.12 3 6 1 81 265.289 4
Hi High (pH 8-9.5) 0.55 2.36 -12.9 2 6 0 77 264.281 4

Activity (Go SEA)

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