UCSF

ZINC42915696

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.48 6.71 -111.28 4 3 2 41 296.43 8
Hi High (pH 8-9.5) 2.48 4.05 -41.24 3 3 1 40 295.422 8
Hi High (pH 8-9.5) 2.48 6.47 -30.19 3 3 1 40 295.422 8

Activity (Go SEA)

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