UCSF

ZINC31964460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 0.74 1.38 -68.8 5 7 1 104 310.374 6
Hi High (pH 8-9.5) 0.74 0.98 -20.16 4 7 0 103 309.366 6

Activity (Go SEA)

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