UCSF

ZINC06484379

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.51 4.3 -10.61 2 4 0 59 261.252 3
Hi High (pH 8-9.5) 3.51 5.3 -49.49 1 4 -1 61 260.244 3

Activity (Go SEA)

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