UCSF

ZINC36830925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 2.21 4.78 -50.22 3 4 1 67 301.197 5
Hi High (pH 8-9.5) 2.21 4.44 -6.76 2 4 0 65 300.189 5

Activity (Go SEA)

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