UCSF

ZINC31965139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 2.31 2.51 -57.68 6 6 1 98 325.82 4
Hi High (pH 8-9.5) 2.31 2.12 -17.22 5 6 0 96 324.812 4

Activity (Go SEA)

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