UCSF

ZINC48241760

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 20 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) 4.44 9.76 -53.5 2 1 1 17 300.731 5
Hi High (pH 8-9.5) 4.44 8.41 -4.65 1 1 0 12 299.723 5

Activity (Go SEA)

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