UCSF

ZINC17282346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 22 No

Other Names:

MFCD00690844

MFCD01222532

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) 3.33 7 -15.76 2 7 0 103 296.286 3
Ref Reference (pH 7) 3.33 6.8 -13.29 2 7 0 103 296.286 3
Hi High (pH 8-9.5) 4.52 6.39 -54.4 1 7 -1 109 295.278 3
Hi High (pH 8-9.5) 4.52 4.29 -49.49 1 7 -1 109 295.278 3

Activity (Go SEA)

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