UCSF

ZINC44693959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.77 5.96 -49.92 2 6 1 81 269.321 9
Hi High (pH 8-9.5) 1.77 4.79 -8.41 1 6 0 76 268.313 9

Activity (Go SEA)

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