UCSF

ZINC38789165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 18 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) 4.13 11.08 -94.88 0 4 -2 80 256.342 12
Lo Low (pH 4.5-6) 4.13 9.12 -49.65 1 4 -1 77 257.35 12

Activity (Go SEA)

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