UCSF

ZINC42946811

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) 2.92 4.99 -109.9 5 3 2 52 300.874 8
Mid Mid (pH 6-8) 2.92 2.84 -45.64 4 3 1 51 299.866 8
Mid Mid (pH 6-8) 2.92 4.68 -28.68 4 3 1 51 299.866 8

Activity (Go SEA)

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