UCSF

ZINC41477223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 3.02 9.76 -44.09 1 5 1 46 328.465 2
Mid Mid (pH 6-8) 3.02 7.54 -8.54 0 5 0 45 327.457 2

Activity (Go SEA)

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