UCSF

ZINC31482108

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.73 10.43 -17.78 1 5 0 62 399.903 6
Hi High (pH 8-9.5) 3.80 9.51 -57.2 0 5 -1 69 398.895 6

Activity (Go SEA)

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