UCSF

ZINC22816795

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 2.05 8.45 -56.34 2 3 1 50 265.336 3
Hi High (pH 8-9.5) 2.05 7.36 -7.72 1 3 0 45 264.328 3

Activity (Go SEA)

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