UCSF

ZINC39766371

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 32 No

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) 3.71 12.21 -18.25 1 10 0 128 474.568 11
Hi High (pH 8-9.5) 3.90 10.98 -38.06 0 10 -1 134 473.56 11

Activity (Go SEA)

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