UCSF

ZINC40821764

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 25 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) 2.61 5.94 -44.42 3 7 1 79 343.407 4
Hi High (pH 8-9.5) 2.61 4.6 -53.22 1 7 -1 81 341.391 4
Mid Mid (pH 6-8) 2.61 3.59 -11.39 2 7 0 78 342.399 4

Activity (Go SEA)

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