UCSF

ZINC08431096

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 23 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) 2.29 8.25 -45.75 2 4 1 43 313.421 7
Hi High (pH 8-9.5) 2.29 5.79 -8.42 1 4 0 42 312.413 7

Activity (Go SEA)

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