UCSF

ZINC08205819

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.03 6.4 -12.92 2 6 0 85 396.468 6
Hi High (pH 8-9.5) 4.03 6.41 -44.49 1 6 -1 87 395.46 6

Activity (Go SEA)

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