UCSF

ZINC43429076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.61 5.28 -50.7 3 4 1 57 285.367 1
Hi High (pH 8-9.5) 0.61 4.87 -11.72 2 4 0 56 284.359 1

Activity (Go SEA)

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