UCSF

ZINC42464937

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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 7.56 -44.92 1 3 1 31 252.309 5
Mid Mid (pH 6-8) 2.00 5.22 -11.73 0 3 0 30 251.301 5

Activity (Go SEA)

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