UCSF

ZINC36638209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 6.68 14.99 -47.1 1 5 1 47 454.66 11
Hi High (pH 8-9.5) 6.68 12.55 -16.36 0 5 0 46 453.652 11

Activity (Go SEA)

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