UCSF

ZINC06385042

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 24 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) -0.26 2.12 -48.08 1 9 -1 141 352.348 5
Hi High (pH 8-9.5) -0.22 1.39 -123.29 0 9 -2 141 351.34 5
Mid Mid (pH 6-8) -0.40 4.11 -39.2 1 9 -1 135 352.348 5
Mid Mid (pH 6-8) -0.44 4.09 -15.57 2 9 0 135 353.356 5

Activity (Go SEA)

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