UCSF

ZINC38580923

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 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) -1.36 0.01 -68.45 8 12 1 185 437.42 4
Hi High (pH 8-9.5) -1.36 -0.38 -32.79 7 12 0 184 436.412 4

Activity (Go SEA)

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