UCSF

ZINC43391682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.68 3.9 -57.1 3 4 1 67 304.317 5
Hi High (pH 8-9.5) 0.68 3.6 -5.82 2 4 0 65 303.309 5

Activity (Go SEA)

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