UCSF

ZINC42699950

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 30 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) 3.25 8.89 -58.7 3 6 1 72 420.48 11
Hi High (pH 8-9.5) 3.25 6.73 -20.6 2 6 0 71 419.472 11

Activity (Go SEA)

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