UCSF

ZINC23082997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 25 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) 3.51 6.75 -31.6 3 5 0 85 371.849 5
Hi High (pH 8-9.5) 3.58 5.84 -61.62 2 5 -1 91 370.841 5

Activity (Go SEA)

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