UCSF

ZINC19426927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.64 6.03 -92.52 4 4 2 50 279.428 2
Hi High (pH 8-9.5) 2.64 4.87 -42.17 3 4 1 46 278.42 2

Activity (Go SEA)

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