UCSF

ZINC34463966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 31 No

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) 3.87 5.87 -36.07 3 9 1 125 440.867 7
Hi High (pH 8-9.5) 3.87 6.64 -16.4 2 9 0 127 439.859 7

Activity (Go SEA)

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