UCSF

ZINC22118330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.60 9.33 -40.01 2 3 1 29 311.449 5
Hi High (pH 8-9.5) 3.60 7.98 -3.67 1 3 0 24 310.441 5

Activity (Go SEA)

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