UCSF

ZINC35745530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 25 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) 3.70 8.31 -50.41 3 5 1 70 366.551 9
Hi High (pH 8-9.5) 4.15 5.75 -41.25 2 5 0 74 365.543 9

Activity (Go SEA)

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