UCSF

ZINC21720824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 1.75 6.33 -39.85 1 5 1 48 289.403 4
Hi High (pH 8-9.5) 1.75 3.79 -9.78 0 5 0 47 288.395 4

Activity (Go SEA)

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