UCSF

ZINC48565869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 15 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) 1.73 7.57 -14.18 1 5 0 58 203.249 3
Lo Low (pH 4.5-6) 1.73 8.05 -30.19 2 5 1 59 204.257 3

Activity (Go SEA)

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