UCSF

ZINC42914467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.71 5.23 -124.9 4 3 2 35 281.419 4
Hi High (pH 8-9.5) 1.71 6.46 -94.25 4 3 2 35 281.419 4
Mid Mid (pH 6-8) 1.71 3.85 -46.42 3 3 1 34 280.411 4

Activity (Go SEA)

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