UCSF

ZINC41664291

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) 3.85 10.72 -20.74 0 8 0 95 482.492 5
Lo Low (pH 4.5-6) 3.85 13.58 -58.01 1 8 1 96 483.5 5
Lo Low (pH 4.5-6) 3.85 11.19 -49.93 1 8 1 96 483.5 5

Activity (Go SEA)

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