UCSF

ZINC20256651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.09 5.01 -48.78 2 8 1 89 401.487 10
Mid Mid (pH 6-8) 1.09 5.08 -48.18 2 8 1 89 401.487 10
Mid Mid (pH 6-8) 1.09 2.7 -12.04 1 8 0 88 400.479 10

Activity (Go SEA)

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