UCSF

ZINC19530798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 28 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) 2.37 6.95 -62.16 3 9 1 115 414.504 12
Hi High (pH 8-9.5) 2.37 4.69 -23.63 2 9 0 114 413.496 12

Activity (Go SEA)

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