UCSF

ZINC33706654

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 31 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) 3.54 7.33 -13.34 1 8 0 89 441.509 6
Lo Low (pH 4.5-6) -0.12 8.27 -42.77 2 8 1 89 442.517 7

Activity (Go SEA)

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