UCSF

ZINC33706798

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 3.02 6.52 -12.94 1 8 0 89 427.482 5
Lo Low (pH 4.5-6) -0.65 7.46 -41.45 2 8 1 89 428.49 6

Activity (Go SEA)

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