UCSF

ZINC22314948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 28 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) 4.12 7.7 -19.65 1 6 0 92 388.814 3
Hi High (pH 8-9.5) 4.19 6.66 -28.29 0 6 -1 98 387.806 3

Activity (Go SEA)

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