UCSF

ZINC26514463

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 Yes

Other Names:

MFCD26792949

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) 1.45 4.24 -42.99 3 2 1 31 217.336 1
Mid Mid (pH 6-8) 1.45 6.43 -110.51 4 2 2 32 218.344 1

Activity (Go SEA)

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