UCSF

ZINC22615531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 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) 4.81 12.4 -31.6 1 6 0 72 464.374 7
Hi High (pH 8-9.5) 4.33 11.49 -69.11 0 6 -1 78 463.366 7

Activity (Go SEA)

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