UCSF

ZINC20153938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.05 4.12 -41.34 3 5 1 49 297.81 4
Mid Mid (pH 6-8) 2.05 4.01 -44.32 3 5 1 49 297.81 4
Mid Mid (pH 6-8) 2.05 1.74 -9.27 2 5 0 48 296.802 4

Activity (Go SEA)

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