UCSF

ZINC44477553

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 2.66 6.13 -6.45 0 3 0 25 224.279 1
Lo Low (pH 4.5-6) 2.66 6.45 -28.78 1 3 1 27 225.287 1

Activity (Go SEA)

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