UCSF

ZINC51555343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 27 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) 3.61 10.17 -35.89 2 4 1 43 370.513 10
Hi High (pH 8-9.5) 3.61 7.96 -7.09 1 4 0 42 369.505 10

Activity (Go SEA)

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