UCSF

ZINC08716863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 28 Yes

Other Names:

MFCD05837300

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) 4.37 -4.3 -13.76 2 5 0 75 414.914 6
Hi High (pH 8-9.5) 4.37 -3.87 -52.79 1 5 -1 77 413.906 6

Activity (Go SEA)

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