UCSF

ZINC19966707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 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) 0.07 0.66 -24.77 2 6 0 103 229.195 2
Hi High (pH 8-9.5) 0.21 -1.09 -58.03 1 6 -1 106 228.187 2

Activity (Go SEA)

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