UCSF

ZINC43411131

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 2.13 2.99 -39.85 4 5 1 77 341.284 5
Hi High (pH 8-9.5) 2.13 0.77 -8.97 3 5 0 75 340.276 5

Activity (Go SEA)

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