UCSF

ZINC42579956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 18 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) 2.72 7.84 -118.52 4 2 2 32 248.414 6
Hi High (pH 8-9.5) 2.72 8.04 -27.26 3 2 1 30 247.406 6
Hi High (pH 8-9.5) 2.72 6.63 -45.74 3 2 1 31 247.406 6

Activity (Go SEA)

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