UCSF

ZINC37508475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 19 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) 1.96 6.77 -54.47 3 4 1 69 255.345 4
Hi High (pH 8-9.5) 1.96 5.65 -8.89 2 4 0 65 254.337 4

Activity (Go SEA)

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