UCSF

ZINC42894626

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.42 3.05 -42.81 4 4 1 66 260.313 6
Hi High (pH 8-9.5) 2.42 1.67 -7.28 3 4 0 62 259.305 6

Activity (Go SEA)

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