UCSF

ZINC21814391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.58 9.67 -40.35 2 2 1 29 289.468 5
Hi High (pH 8-9.5) 4.58 8.38 -6.29 1 2 0 25 288.46 5

Activity (Go SEA)

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