UCSF

ZINC05252772

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 24 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) 1.04 -6.26 -17.33 3 7 0 104 345.38 4
Hi High (pH 8-9.5) 1.04 -5.68 -52.66 2 7 -1 106 344.372 4

Activity (Go SEA)

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