UCSF

ZINC13690910

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

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) 3.47 7.7 -11.83 0 6 0 65 414.461 5
Lo Low (pH 4.5-6) 3.47 10.87 -110.91 2 6 2 67 416.477 5

Activity (Go SEA)

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