UCSF

ZINC22128148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 29 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) 4.43 11.48 -42.09 2 4 1 38 389.519 7
Hi High (pH 8-9.5) 4.43 10.11 -5.57 1 4 0 34 388.511 7

Activity (Go SEA)

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