UCSF

ZINC26901445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 1.92 8.24 -45.82 2 3 1 34 279.429 7
Hi High (pH 8-9.5) 1.92 5.83 -9.35 1 3 0 32 278.421 7

Activity (Go SEA)

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