UCSF

ZINC35895123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.98 15.45 -39.79 2 4 1 43 457.638 9
Hi High (pH 8-9.5) 5.98 14.07 -11.92 1 4 0 42 456.63 9

Activity (Go SEA)

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