UCSF

ZINC40151500

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 21 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) 2.76 6.27 -12.01 0 4 0 50 324.833 5
Lo Low (pH 4.5-6) 2.76 6.73 -36.89 1 4 1 52 325.841 5

Activity (Go SEA)

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