UCSF

ZINC39967679

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 5.86 14.23 -18.68 1 7 0 86 482.679 10
Hi High (pH 8-9.5) 6.05 13.01 -51.16 0 7 -1 92 481.671 10

Activity (Go SEA)

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