UCSF

ZINC17007801

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 20 Yes

Other Names:

MFCD01835019

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) 2.53 7.76 -56.51 0 4 -1 60 276.356 2
Lo Low (pH 4.5-6) 2.53 6.64 -12.59 1 4 0 58 277.364 2

Activity (Go SEA)

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