UCSF

ZINC41051938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) 2.73 5.07 -4.41 0 2 0 27 180.295 2
Lo Low (pH 4.5-6) 2.73 6.88 -36.38 1 2 1 28 181.303 2

Activity (Go SEA)

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