UCSF

ZINC23114914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 19 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) 2.62 3.32 -6.51 1 4 0 42 330.222 3
Hi High (pH 8-9.5) 2.62 4.08 -44.08 0 4 -1 45 329.214 3

Activity (Go SEA)

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