UCSF

ZINC61721819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 26 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) 3.47 10.06 -49.81 2 5 1 51 369.876 6
Hi High (pH 8-9.5) 3.47 7.59 -11.41 1 5 0 50 368.868 6

Activity (Go SEA)

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