UCSF

ZINC33761937

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 29 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) 1.96 6.62 -63.49 0 7 -1 96 391.403 7
Lo Low (pH 4.5-6) 1.96 5.8 -17.6 1 7 0 93 392.411 7

Activity (Go SEA)

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