UCSF

ZINC08384245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 32 No

Other Names:

MFCD04088691

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) 2.83 -1.78 -47.72 2 7 1 80 457.572 9
Mid Mid (pH 6-8) 2.25 -1.93 -54.73 1 7 1 77 457.572 9

Activity (Go SEA)

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