UCSF

ZINC08061826

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 17 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) 0.93 5.85 -36.96 1 6 1 57 252.323 3
Hi High (pH 8-9.5) 0.93 3.3 -7.7 0 6 0 56 251.315 3

Activity (Go SEA)

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