UCSF

ZINC44609407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.91 8.66 -69.38 1 4 0 57 276.361 5
Hi High (pH 8-9.5) 1.91 6.27 -55.59 0 4 -1 56 275.353 5

Activity (Go SEA)

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