UCSF

ZINC43251990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.52 7.45 -47.8 3 2 1 31 293.843 3
Hi High (pH 8-9.5) 3.52 8.23 -3.06 2 2 0 29 292.835 3

Activity (Go SEA)

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