UCSF

ZINC33764481

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 37 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) 4.73 13.27 -56.08 0 7 -1 88 500.571 11
Lo Low (pH 4.5-6) 4.73 11.97 -19.57 1 7 0 85 501.579 11

Activity (Go SEA)

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