UCSF

ZINC41586176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

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) 4.75 12.05 -51.69 2 7 1 90 466.554 8
Hi High (pH 8-9.5) 4.75 9.76 -12.67 1 7 0 89 465.546 8
Mid Mid (pH 6-8) 4.75 12.62 -34.61 1 7 0 93 465.546 8

Activity (Go SEA)

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