UCSF

ZINC06361943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 3.61 -6.45 -11.55 2 5 0 75 403.323 6
Hi High (pH 8-9.5) 3.61 -6.03 -48.73 1 5 -1 77 402.315 6

Activity (Go SEA)

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