UCSF

ZINC43678027

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) 2.76 4.77 -35.51 3 3 1 48 304.233 3
Hi High (pH 8-9.5) 2.76 2.7 -7.62 2 3 0 46 303.225 3

Activity (Go SEA)

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