UCSF

ZINC19295757

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 30 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) 4.83 12.31 -31.95 1 6 0 72 464.374 7
Hi High (pH 8-9.5) 4.35 11.39 -67.48 0 6 -1 78 463.366 7

Activity (Go SEA)

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