UCSF

ZINC21773159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.02 10.41 -14.62 1 3 0 42 364.804 4
Hi High (pH 8-9.5) 5.08 9.49 -38.83 0 3 -1 48 363.796 4

Activity (Go SEA)

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