UCSF

ZINC29622306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 25 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) 4.26 7.92 -95.97 4 5 2 60 362.905 6
Hi High (pH 8-9.5) 4.26 7.52 -52.82 3 5 1 58 361.897 6
Hi High (pH 8-9.5) 4.26 5.31 -13.7 2 5 0 57 360.889 6

Activity (Go SEA)

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