UCSF

ZINC20217766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 0.70 6.28 -41.88 1 3 1 25 205.709 2
Hi High (pH 8-9.5) 0.70 3.77 -6.56 0 3 0 24 204.701 2

Activity (Go SEA)

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