UCSF

ZINC26511714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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 4.7 -30.47 3 4 1 54 218.28 2
Mid Mid (pH 6-8) 1.97 4.59 -9.96 2 4 0 53 217.272 2

Activity (Go SEA)

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