UCSF

ZINC43427457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) -0.40 1.22 -44.94 3 4 1 57 199.274 1
Hi High (pH 8-9.5) -0.40 0.88 -8.67 2 4 0 56 198.266 1

Activity (Go SEA)

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