UCSF

ZINC43709408

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 0.87 4.76 -55.17 3 5 1 58 276.36 3
Hi High (pH 8-9.5) 0.87 3.41 -11.2 2 5 0 54 275.352 3

Activity (Go SEA)

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