UCSF

ZINC22116594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.56 5.19 -16.66 2 6 0 93 434.504 2
Hi High (pH 8-9.5) 2.56 5.94 -72.78 1 6 -1 96 433.496 2

Activity (Go SEA)

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