UCSF

ZINC41584976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 4.89 11.89 -51.65 2 7 1 77 501.603 8
Hi High (pH 8-9.5) 4.89 10.38 -47.81 0 7 -1 78 499.587 8
Mid Mid (pH 6-8) 4.89 9.62 -15.48 1 7 0 75 500.595 8
Mid Mid (pH 6-8) 4.89 11.87 -50.3 2 7 1 77 501.603 8

Activity (Go SEA)

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