UCSF

ZINC09914819

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 21 No

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) 1.62 5.92 -8.69 1 5 0 73 301.371 2
Hi High (pH 8-9.5) 1.81 3.63 -41.06 0 5 -1 80 300.363 2

Activity (Go SEA)

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