UCSF

ZINC39985616

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 24 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) 3.83 9.18 -48.51 2 4 1 44 330.448 8
Hi High (pH 8-9.5) 3.83 7.94 -8.17 1 4 0 40 329.44 8

Activity (Go SEA)

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