UCSF

ZINC08654659

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2007 29 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) 4.50 10 -17.26 2 6 0 99 404.495 5
Hi High (pH 8-9.5) 4.96 8.31 -45.3 1 6 -1 102 403.487 5

Activity (Go SEA)

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