UCSF

ZINC33710032

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 36 No

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) 6.15 13.41 -12.12 1 6 0 71 522.07 8
Lo Low (pH 4.5-6) 2.49 14.36 -39.73 2 6 1 70 523.078 9

Activity (Go SEA)

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