UCSF

ZINC49626776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 34 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) 4.34 11.69 -40.53 2 5 1 68 490.73 6
Hi High (pH 8-9.5) 4.34 8.82 -7.79 1 5 0 67 489.722 6

Activity (Go SEA)

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