UCSF

ZINC65585188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 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) 3.36 7.05 -14.47 1 5 0 54 357.479 4
Hi High (pH 8-9.5) 3.36 6.07 -43.51 0 5 -1 57 356.471 4

Activity (Go SEA)

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