UCSF

ZINC60060156

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 34 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) 4.02 7.31 -52.11 1 8 -1 115 563.475 7
Hi High (pH 8-9.5) 4.02 7.43 -106.91 0 8 -2 117 562.467 7
Mid Mid (pH 6-8) 4.02 7.31 -52.39 1 8 -1 115 563.475 7
Mid Mid (pH 6-8) 4.02 7.34 -18.28 2 8 0 113 564.483 7

Activity (Go SEA)

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