UCSF

ZINC29395795

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) -1.34 -3.33 -29.75 3 7 0 105 278.211 3
Hi High (pH 8-9.5) -0.88 -5.13 -70.58 2 7 -1 108 277.203 3

Activity (Go SEA)

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