UCSF

ZINC51104240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 21 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) 0.74 1.32 -15.22 3 6 0 85 356.22 5
Lo Low (pH 4.5-6) 0.74 3.58 -56.47 4 6 1 86 357.228 5

Activity (Go SEA)

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