UCSF

ZINC42463656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.46 6.68 -119.16 4 3 2 41 244.423 9
Hi High (pH 8-9.5) 2.46 6.4 -28.16 3 3 1 40 243.415 9
Hi High (pH 8-9.5) 2.46 4.2 -46 3 3 1 40 243.415 9

Activity (Go SEA)

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