UCSF

ZINC04951927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 16 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) -0.63 0.33 -37.74 3 6 1 74 230.288 4
Hi High (pH 8-9.5) -0.63 -2.17 -8.47 2 6 0 73 229.28 4

Activity (Go SEA)

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