UCSF

ZINC40042508

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 3.48 7.61 -11.62 1 6 0 80 393.439 6

Activity (Go SEA)

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