UCSF

ZINC38403788

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2010 37 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) 5.53 15.85 -38.96 3 7 1 88 494.619 7
Hi High (pH 8-9.5) 5.53 15.48 -16.14 2 7 0 87 493.611 7

Activity (Go SEA)

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