UCSF

ZINC05307450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 2.47 11.98 -19.24 2 8 0 90 393.447 6
Hi High (pH 8-9.5) 2.65 12.28 -19.98 2 8 0 93 393.447 6

Activity (Go SEA)

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