UCSF

ZINC67563147

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 20 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) 0.32 4.11 -49.95 3 5 1 62 275.376 2
Lo Low (pH 4.5-6) 0.32 4.48 -92.32 4 5 2 63 276.384 2

Activity (Go SEA)

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