UCSF

ZINC21486967

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) 2.42 9.42 -72.73 1 9 0 120 425.441 8
Hi High (pH 8-9.5) 2.42 6.87 -56.75 0 9 -1 119 424.433 8

Activity (Go SEA)

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