UCSF

ZINC36682844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 23 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 5.61 -13.76 1 5 0 68 348.189 3
Hi High (pH 8-9.5) 4.57 4.75 -50.88 0 5 -1 74 347.181 3

Activity (Go SEA)

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