UCSF

ZINC57231008

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 28 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) 2.54 8.99 -13.1 2 6 0 74 378.476 5
Lo Low (pH 4.5-6) 2.54 9.46 -42.88 3 6 1 76 379.484 5

Activity (Go SEA)

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