UCSF

ZINC39645988

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 22 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) 2.90 6.11 -41.83 2 4 1 44 300.378 5
Hi High (pH 8-9.5) 2.90 4.79 -5.68 1 4 0 40 299.37 5

Activity (Go SEA)

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