UCSF

ZINC36155977

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 2.50 8.09 -49.36 3 7 1 83 471.647 10
Hi High (pH 8-9.5) 2.50 5.22 -12.28 2 7 0 82 470.639 10
Hi High (pH 8-9.5) 2.95 5.45 -41.85 2 7 0 86 470.639 10

Activity (Go SEA)

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