UCSF

ZINC22358237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 25 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) 2.66 9.6 -45.13 1 4 1 28 360.478 3
Hi High (pH 8-9.5) 2.66 7.51 -10.8 0 4 0 27 359.47 3

Activity (Go SEA)

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