UCSF

ZINC47349243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 24 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) 3.65 9 -18.58 1 5 0 58 354.426 5
Hi High (pH 8-9.5) 3.28 7.59 -53.6 0 5 -1 64 353.418 6

Activity (Go SEA)

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