UCSF

ZINC42460400

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.70 0.9 -42.64 2 5 1 49 230.332 5
Hi High (pH 8-9.5) -0.70 -0.42 -7.49 1 5 0 45 229.324 5

Activity (Go SEA)

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