UCSF

ZINC42717119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) -0.39 4 -57.26 1 6 0 83 213.237 6
Hi High (pH 8-9.5) -0.39 1.67 -50.18 0 6 -1 82 212.229 6

Activity (Go SEA)

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