UCSF

ZINC43976979

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 25 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) 3.24 10.28 -47.5 2 4 1 43 341.475 9
Hi High (pH 8-9.5) 3.24 7.81 -10.63 1 4 0 42 340.467 9

Activity (Go SEA)

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