UCSF

ZINC42324441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 15 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) -0.06 2.34 -17.34 1 5 0 80 208.265 6
Mid Mid (pH 6-8) -0.06 4.31 -59.73 2 5 1 81 209.273 6

Activity (Go SEA)

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