UCSF

ZINC36722228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 1.07 3.91 -31.74 3 4 1 43 250.366 4
Mid Mid (pH 6-8) 1.07 3.91 -30.22 3 4 1 43 250.366 4
Mid Mid (pH 6-8) 1.07 1.63 -4.25 2 4 0 42 249.358 4

Activity (Go SEA)

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