UCSF

ZINC09670585

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 31 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) 4.81 11.61 -48.36 2 6 1 67 440.951 4
Mid Mid (pH 6-8) 4.81 9.46 -13.86 1 6 0 66 439.943 4

Activity (Go SEA)

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