UCSF

ZINC06178850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2006 29 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) 4.98 10.67 -13.55 2 6 0 80 402.479 7
Hi High (pH 8-9.5) 4.98 10.47 -48.88 1 6 -1 78 401.471 7

Activity (Go SEA)

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