UCSF

ZINC41679646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 No

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) 0.81 4.77 -85.54 4 4 2 50 261.435 7
Mid Mid (pH 6-8) 0.81 3.56 -42.14 3 4 1 46 260.427 7

Activity (Go SEA)

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