UCSF

ZINC18127233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 25 No

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) 4.63 6.48 -40.92 1 5 -1 74 418.292 5
Hi High (pH 8-9.5) 5.58 4.57 -47.27 1 5 -1 78 418.292 4

Activity (Go SEA)

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