UCSF

ZINC43911713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 3.06 6.2 -38.98 2 3 1 29 265.421 9
Hi High (pH 8-9.5) 3.06 7.48 -36.43 2 3 1 26 265.421 9

Activity (Go SEA)

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