UCSF

ZINC41313936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 3.81 9.18 -6.61 0 3 0 24 302.462 5
Mid Mid (pH 6-8) 3.81 10.92 -44.42 1 3 1 25 303.47 5

Activity (Go SEA)

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