UCSF

ZINC40818589

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 5.32 14.36 -58.97 0 5 -1 84 427.561 6
Lo Low (pH 4.5-6) 5.32 12.46 -10.38 1 5 0 81 428.569 6

Activity (Go SEA)

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