UCSF

ZINC09708672

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 29 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) 4.60 -7.36 -16.76 1 6 0 83 448.591 5
Hi High (pH 8-9.5) 4.60 -6.78 -57.43 0 6 -1 85 447.583 5

Activity (Go SEA)

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