UCSF

ZINC43708001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -2.16 1.96 -54.66 2 6 1 66 230.288 3
Hi High (pH 8-9.5) -2.16 0.62 -16.78 1 6 0 62 229.28 3

Activity (Go SEA)

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