UCSF

ZINC37979093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 Yes

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) 1.97 7.64 -41.72 2 4 1 34 273.404 6
Hi High (pH 8-9.5) 1.97 5.19 -8.94 1 4 0 33 272.396 6
Mid Mid (pH 6-8) 1.97 8.14 -81.81 3 4 2 36 274.412 6

Activity (Go SEA)

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