UCSF

ZINC39928057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 16 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) 0.11 -0.08 -45.54 4 5 1 77 231.316 4
Hi High (pH 8-9.5) 0.11 -0.24 -8.14 3 5 0 76 230.308 4

Activity (Go SEA)

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