UCSF

ZINC22044043

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 1.10 0.68 -42.23 3 5 1 59 301.794 5
Hi High (pH 8-9.5) 1.10 -0.68 -6.83 2 5 0 54 300.786 5

Activity (Go SEA)

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