UCSF

ZINC35844892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 37 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) 5.04 14.24 -11.77 0 5 0 46 514.588 12
Mid Mid (pH 6-8) 5.04 16.28 -52.94 1 5 1 47 515.596 12

Activity (Go SEA)

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