UCSF

ZINC41652962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.11 2.92 -13.28 3 5 0 77 271.32 5
Lo Low (pH 4.5-6) 1.11 3.37 -41.5 4 5 1 78 272.328 5

Activity (Go SEA)

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