UCSF

ZINC41585811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 4.87 7.91 -16.23 1 8 0 85 488.54 7
Hi High (pH 8-9.5) 4.87 8.49 -45.31 0 8 -1 87 487.532 7
Mid Mid (pH 6-8) 4.87 10.14 -61.3 2 8 1 86 489.548 7

Activity (Go SEA)

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