UCSF

ZINC36740547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 25 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) 2.36 6.89 -40.23 2 4 1 46 339.507 5
Lo Low (pH 4.5-6) 2.36 9.26 -199.27 4 4 3 48 341.523 5
Lo Low (pH 4.5-6) 2.36 7.35 -86.2 3 4 2 47 340.515 5
Lo Low (pH 4.5-6) 2.36 8.8 -114.08 3 4 2 47 340.515 5

Activity (Go SEA)

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