UCSF

ZINC39355715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 31 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) 3.97 11.73 -101.92 2 5 2 56 437.971 3
Hi High (pH 8-9.5) 3.97 9.66 -36.13 1 5 1 55 436.963 3

Activity (Go SEA)

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