UCSF

ZINC03948323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 31 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) 5.06 11.45 -42.73 2 5 1 54 423.577 8
Hi High (pH 8-9.5) 5.06 9.02 -12.37 1 5 0 53 422.569 8

Activity (Go SEA)

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