UCSF

ZINC67652224

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 25 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) 3.08 9.35 -43.91 2 5 1 54 366.913 7
Hi High (pH 8-9.5) 3.08 7.49 -17.92 1 5 0 53 365.905 7

Activity (Go SEA)

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