UCSF

ZINC41583877

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) 4.42 12.54 -40.13 2 6 1 81 416.538 7
Hi High (pH 8-9.5) 4.42 13.31 -23.2 1 6 0 84 415.53 7

Activity (Go SEA)

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