UCSF

ZINC41664285

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) 3.90 10.64 -20.11 0 8 0 95 482.492 5
Lo Low (pH 4.5-6) 3.90 13.5 -55.51 1 8 1 96 483.5 5
Lo Low (pH 4.5-6) 3.90 11.11 -50.65 1 8 1 96 483.5 5

Activity (Go SEA)

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