UCSF

ZINC41313856

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 25 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) 3.07 10.04 -43.19 1 4 1 28 346.539 7
Mid Mid (pH 6-8) 3.07 12.16 -110.87 2 4 2 29 347.547 7
Mid Mid (pH 6-8) 3.07 9.69 -41.53 1 4 1 28 346.539 7

Activity (Go SEA)

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