UCSF

ZINC41583879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.56 12.63 -41.34 2 6 1 81 416.538 8
Hi High (pH 8-9.5) 4.56 13.4 -23.17 1 6 0 84 415.53 8

Activity (Go SEA)

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