UCSF

ZINC20496027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 28 No

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) 3.85 5.57 -23.37 1 9 0 123 380.36 7
Hi High (pH 8-9.5) 4.04 3.87 -46.07 0 9 -1 129 379.352 7

Activity (Go SEA)

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