UCSF

ZINC13569082

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 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) 4.22 10.51 -6.04 0 3 0 25 346.474 8
Lo Low (pH 4.5-6) 4.22 13.14 -98.45 2 3 2 28 348.49 8

Activity (Go SEA)

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