UCSF

ZINC42950780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 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) 2.00 4.17 -63.33 4 4 1 73 282.776 4
Hi High (pH 8-9.5) 2.46 1.75 -45.97 2 4 -1 75 280.76 4
Mid Mid (pH 6-8) 2.46 2.32 -68.49 3 4 0 76 281.768 4

Activity (Go SEA)

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