UCSF

ZINC61530417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2011 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) 0.98 3.77 -23.04 4 7 0 102 317.393 9
Mid Mid (pH 6-8) 0.98 4.25 -49.52 5 7 1 103 318.401 9

Activity (Go SEA)

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