UCSF

ZINC42947145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.03 6.45 -114.11 4 3 2 41 300.874 8
Hi High (pH 8-9.5) 3.03 4.74 -45.67 3 3 1 40 299.866 8
Mid Mid (pH 6-8) 3.03 6.17 -31.56 3 3 1 40 299.866 8

Activity (Go SEA)

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