UCSF

ZINC35288466

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 24 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) 4.41 9.14 -10.89 1 4 0 55 320.392 4
Hi High (pH 8-9.5) 4.87 7.39 -53.29 0 4 -1 58 319.384 4

Activity (Go SEA)

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