UCSF

ZINC36234984

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 3.44 7.7 -27.5 2 4 1 37 346.47 2
Hi High (pH 8-9.5) 3.44 6.15 -6.02 1 4 0 36 345.462 2

Activity (Go SEA)

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