UCSF

ZINC39260833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 29 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) 4.51 13.92 -49.48 2 4 1 38 390.551 7
Hi High (pH 8-9.5) 4.51 11.7 -12.24 1 4 0 37 389.543 7

Activity (Go SEA)

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