UCSF

ZINC09420264

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 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) 1.10 -1.71 -21.98 3 9 0 125 444.447 4
Lo Low (pH 4.5-6) 1.10 -1.6 -58.37 4 9 1 126 445.455 4

Activity (Go SEA)

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