UCSF

ZINC42084666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.41 1.22 -15.66 3 6 0 87 275.308 5
Hi High (pH 8-9.5) 0.60 -1.44 -48.79 2 6 -1 94 274.3 5

Activity (Go SEA)

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