UCSF

ZINC35470863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 5.34 14.25 -15.44 0 5 0 38 467.613 7
Mid Mid (pH 6-8) 5.34 16.46 -52.19 1 5 1 39 468.621 7

Activity (Go SEA)

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