UCSF

ZINC43707554

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 1.28 4.04 -56.92 3 4 1 55 275.25 3
Hi High (pH 8-9.5) 1.28 2.69 -11.71 2 4 0 50 274.242 3

Activity (Go SEA)

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