UCSF

ZINC07975805

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2006 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) 2.29 8.02 -50.94 2 5 1 64 301.366 6
Hi High (pH 8-9.5) 2.11 4.81 -46.07 0 5 -1 69 299.35 6

Activity (Go SEA)

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