UCSF

ZINC39816707

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 20 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) -2.02 2.91 -67.62 4 7 0 117 285.344 6
Hi High (pH 8-9.5) -2.02 2.64 -49.79 3 7 -1 116 284.336 6

Activity (Go SEA)

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