UCSF

ZINC39228113

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 35 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) 3.75 8.28 -45.7 4 7 1 88 474.581 3
Hi High (pH 8-9.5) 3.75 6.16 -14.16 3 7 0 87 473.573 3

Activity (Go SEA)

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