UCSF

ZINC43391798

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) 2.80 6.46 -9.5 1 3 0 46 266.222 1
Hi High (pH 8-9.5) 3.26 4.58 -43.47 0 3 -1 49 265.214 1

Activity (Go SEA)

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