UCSF

ZINC22056262

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 34 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) 4.43 8.44 -52.66 3 6 -1 114 472.577 11
Mid Mid (pH 6-8) 4.43 8.84 -65.6 4 6 0 115 473.585 11

Activity (Go SEA)

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