UCSF

ZINC42461301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.07 3.39 -4.99 0 3 0 30 225.332 1
Lo Low (pH 4.5-6) 2.07 5.34 -32 1 3 1 31 226.34 1

Activity (Go SEA)

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