UCSF

ZINC44652026

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 2.15 6.26 -41.42 3 3 1 45 236.364 5
Hi High (pH 8-9.5) 2.15 4.95 -7.22 2 3 0 41 235.356 5
Hi High (pH 8-9.5) 2.15 4.92 -5.02 2 3 0 41 235.356 5
Mid Mid (pH 6-8) 2.15 6.3 -44.32 3 3 1 45 236.364 5

Activity (Go SEA)

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