UCSF

ZINC19706983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 26 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) 3.83 10.46 -44.03 0 5 -1 63 368.482 6
Lo Low (pH 4.5-6) 3.37 11.55 -9.79 1 5 0 60 369.49 6

Activity (Go SEA)

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