UCSF

ZINC26725227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 21 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) 3.69 9.77 -43.01 1 3 1 31 292.374 3
Hi High (pH 8-9.5) 3.69 7.42 -5.16 0 3 0 30 291.366 3

Activity (Go SEA)

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