UCSF

ZINC13228290

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 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) 4.03 5.97 -12.73 3 6 0 90 410.886 4
Lo Low (pH 4.5-6) 4.03 6.19 -38.78 4 6 1 91 411.894 4

Activity (Go SEA)

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