UCSF

ZINC36214276

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.00 2.22 -6.82 2 6 0 65 296.415 5
Mid Mid (pH 6-8) 1.00 4.57 -45.46 3 6 1 66 297.423 5

Activity (Go SEA)

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