UCSF

ZINC45424694

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2010 27 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) 3.27 8.24 -23.49 2 7 0 79 371.485 7
Mid Mid (pH 6-8) 3.27 8.68 -40.09 3 7 1 80 372.493 7

Activity (Go SEA)

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