UCSF

ZINC20996550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 31 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) 2.78 7.27 -46.61 2 8 1 86 444.943 9
Hi High (pH 8-9.5) 2.78 5.84 -9.63 1 8 0 82 443.935 9

Activity (Go SEA)

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