UCSF

ZINC42403945

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 21 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) 0.66 2.96 -39.38 5 6 1 94 291.375 4
Hi High (pH 8-9.5) 0.66 0.96 -17.35 4 6 0 93 290.367 4

Activity (Go SEA)

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