UCSF

ZINC05215443

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 23 No

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) 1.87 5.09 -11.92 2 6 0 83 330.775 4
Hi High (pH 8-9.5) 2.05 4.7 -53 1 6 -1 90 329.767 4

Activity (Go SEA)

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