UCSF

ZINC47281142

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 25 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) 3.11 9.48 -57.15 1 5 1 66 378.905 7
Hi High (pH 8-9.5) 3.11 7 -11.62 0 5 0 64 377.897 7

Activity (Go SEA)

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