UCSF

ZINC33831116

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 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) 2.36 -0.88 -18.32 5 9 0 154 350.279 6
Hi High (pH 8-9.5) 2.36 1.1 -137.62 3 9 -2 159 348.263 6
Mid Mid (pH 6-8) 2.36 0.18 -62.28 4 9 -1 157 349.271 6

Activity (Go SEA)

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