UCSF

ZINC37055486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.01 -0.47 -55.28 2 8 -1 132 339.346 7
Hi High (pH 8-9.5) 0.01 -0.13 -172.86 0 8 -3 137 337.33 7
Mid Mid (pH 6-8) 0.01 -0.29 -100.14 1 8 -2 135 338.338 7

Activity (Go SEA)

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