UCSF

ZINC26420610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 15 Yes

Other Names:

MFCD16630775

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) 1.50 5.32 -14.22 2 3 0 44 217.297 1
Lo Low (pH 4.5-6) 1.50 5.72 -28.6 3 3 1 45 218.305 1

Activity (Go SEA)

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