UCSF

ZINC06299870

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 18 No

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) 2.17 4.6 -13.32 3 5 0 69 262.338 4
Hi High (pH 8-9.5) 2.62 2.53 -42.95 2 5 -1 72 261.33 4
Hi High (pH 8-9.5) 2.62 2.79 -46.45 2 5 -1 72 261.33 4

Activity (Go SEA)

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