UCSF

ZINC05818318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 31 No

Other Names:

MFCD02993677

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) 3.60 -0.16 -44.52 2 6 1 71 421.517 5
Mid Mid (pH 6-8) 2.57 -0.34 -46.35 1 6 1 68 421.517 6

Activity (Go SEA)

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