UCSF

ZINC34463154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 No

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) 1.48 3.38 -45.14 1 3 -1 60 169.2 2
Lo Low (pH 4.5-6) 1.48 1.56 -5.99 2 3 0 58 170.208 2

Activity (Go SEA)

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