UCSF

ZINC43111917

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 23 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) 3.38 10.49 -51.87 1 3 1 25 333.452 3
Hi High (pH 8-9.5) 3.38 8.6 -8.82 0 3 0 24 332.444 3

Activity (Go SEA)

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