UCSF

ZINC22853418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 32 Yes

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) 5.41 13.01 -42.97 1 7 0 84 456.612 8
Hi High (pH 8-9.5) 5.41 10.99 -53.75 0 7 -1 83 455.604 8

Activity (Go SEA)

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