UCSF

ZINC47869086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.09 6.65 -41.94 2 6 1 63 365.494 10
Hi High (pH 8-9.5) 3.09 4.37 -8.75 1 6 0 62 364.486 10

Activity (Go SEA)

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