UCSF

ZINC01223807

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2004 34 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) 4.72 -5.03 -17.27 2 8 0 105 499.662 8
Hi High (pH 8-9.5) 4.72 -4.45 -46.83 1 8 -1 108 498.654 8

Activity (Go SEA)

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