UCSF

ZINC08626706

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 14 Yes

Other Names:

MFCD00661859

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) 1.90 6.33 -16.97 1 2 0 33 187.242 0
Lo Low (pH 4.5-6) 3.20 -0.5 -26.65 2 2 1 34 188.25 0

Activity (Go SEA)

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