UCSF

ZINC48837147

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 18 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) 3.82 9.48 -29.96 1 2 1 17 259.76 1
Hi High (pH 8-9.5) 3.82 9.06 -4.13 0 2 0 16 258.752 1

Activity (Go SEA)

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