UCSF

ZINC69098105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.03 3.2 -42.66 2 5 1 54 214.289 2
Hi High (pH 8-9.5) -1.03 1.13 -8.47 1 5 0 53 213.281 2

Activity (Go SEA)

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