UCSF

ZINC47410903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2010 19 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) 1.60 6.2 -11.65 1 3 0 42 258.296 4
Lo Low (pH 4.5-6) 1.60 6.64 -34.83 2 3 1 43 259.304 4

Activity (Go SEA)

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