UCSF

ZINC41583910

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 5.08 11.13 -45.91 2 4 1 55 378.492 3
Hi High (pH 8-9.5) 5.08 11.89 -33.73 1 4 0 58 377.484 3

Activity (Go SEA)

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