UCSF

ZINC35016487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.76 9.21 -35.2 2 2 1 16 279.423 5
Lo Low (pH 4.5-6) 3.76 10.02 -108.09 3 2 2 21 280.431 5

Activity (Go SEA)

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