UCSF

ZINC42766320

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.75 3.82 -13.79 2 4 0 50 313.389 9
Lo Low (pH 4.5-6) 0.75 5.65 -47.79 3 4 1 51 314.397 9

Activity (Go SEA)

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