UCSF

ZINC41648765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

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) 6.99 12.39 -8.25 0 4 0 43 500.809 4
Lo Low (pH 4.5-6) 6.99 15.24 -55.16 1 4 1 44 501.817 4

Activity (Go SEA)

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