UCSF

ZINC00406838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 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) 0.85 5.75 -17.03 2 7 0 105 328.324 4
Lo Low (pH 4.5-6) 0.85 6.23 -36.47 3 7 1 106 329.332 4

Activity (Go SEA)

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