UCSF

ZINC33294047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 25 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) 5.59 10.85 -7.99 0 4 0 44 352.459 4
Lo Low (pH 4.5-6) 1.36 11.13 -29.12 1 4 1 42 353.467 5

Activity (Go SEA)

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