UCSF

ZINC53432413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 21 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) 0.54 4.6 -11.65 0 6 0 53 299.415 9
Mid Mid (pH 6-8) 0.54 6.88 -43.69 1 6 1 54 300.423 9

Activity (Go SEA)

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