UCSF

ZINC20727009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 21 No

Download: MOL2 SDF SMILES Flexibase

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) 2.33 3.45 -9.63 2 5 0 71 301.371 4
Ref Reference (pH 7) 2.14 5.9 -8.72 2 5 0 67 301.371 4
Hi High (pH 8-9.5) 2.22 3.81 -46.5 0 5 -1 69 300.363 4
Mid Mid (pH 6-8) 2.14 5.88 -7.32 2 5 0 67 301.371 4
Mid Mid (pH 6-8) 2.33 3.46 -7.47 2 5 0 71 301.371 4

Activity (Go SEA)

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