UCSF

ZINC13424225

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 34 No

Other Names:

MFCD02231413

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) 5.31 12.14 -11.63 0 6 0 74 481.614 8
Mid Mid (pH 6-8) 5.31 12.18 -14.98 0 6 0 74 481.614 8
Mid Mid (pH 6-8) 5.49 11.16 -12.91 0 6 0 74 481.614 8

Activity (Go SEA)

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