UCSF

ZINC22319715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 32 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) 3.08 8.36 -13.45 1 7 0 88 426.476 4
Hi High (pH 8-9.5) 3.15 7.41 -46.03 0 7 -1 95 425.468 4

Activity (Go SEA)

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