UCSF

ZINC42915687

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 3.44 7.86 -116.67 4 2 2 32 280.431 4
Hi High (pH 8-9.5) 3.44 7.54 -35.55 3 2 1 30 279.423 4
Hi High (pH 8-9.5) 3.44 5.56 -43.39 3 2 1 31 279.423 4

Activity (Go SEA)

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