UCSF

ZINC52584050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 25 Yes

Other Names:

MFCD04974160

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) 4.92 13.48 -88.74 2 2 2 18 332.491 6
Hi High (pH 8-9.5) 4.92 11.22 -29.97 1 2 1 17 331.483 6

Activity (Go SEA)

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