UCSF

ZINC43801664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 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) -0.77 2.25 -49.02 2 6 1 65 261.342 7
Hi High (pH 8-9.5) -0.77 0.89 -10.22 1 6 0 60 260.334 7

Activity (Go SEA)

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