UCSF

ZINC48695592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 17 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) 1.77 4.48 -12.42 0 4 0 42 250.323 5
Lo Low (pH 4.5-6) 1.77 6.72 -43.23 1 4 1 44 251.331 5

Activity (Go SEA)

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