UCSF

ZINC36679990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 2.66 4.59 -35.51 4 3 1 61 207.297 4
Hi High (pH 8-9.5) -0.63 4.95 -8.34 4 3 0 61 206.289 4

Activity (Go SEA)

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