UCSF

ZINC05859365

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.17 0.03 -12.33 1 5 0 64 188.158 3
Hi High (pH 8-9.5) 0.29 -2.49 -52.89 0 5 -1 67 187.15 3

Activity (Go SEA)

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