UCSF

ZINC19820185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.12 9.56 -13.5 1 6 0 72 425.897 5
Hi High (pH 8-9.5) 4.19 8.64 -43.38 0 6 -1 78 424.889 5

Activity (Go SEA)

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