UCSF

ZINC49546204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 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) 2.09 5.28 -8.92 2 4 0 54 259.334 2
Lo Low (pH 4.5-6) 2.27 3.92 -33.01 3 4 1 59 260.342 2

Activity (Go SEA)

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