UCSF

ZINC36679871

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 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) 5.17 8.15 -35.02 4 3 1 61 291.459 6
Hi High (pH 8-9.5) 1.88 8.46 -6.68 4 3 0 61 290.451 6

Activity (Go SEA)

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