UCSF

ZINC41583813

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 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) 5.37 10.48 -39.45 2 4 1 51 369.46 4
Mid Mid (pH 6-8) 5.37 11.25 -23.69 1 4 0 54 368.452 4

Activity (Go SEA)

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