UCSF

ZINC40477041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 Yes

Other Names:

MFCD18170388

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) 3.92 7 -46.78 3 2 1 37 294.827 5
Hi High (pH 8-9.5) 3.92 5.61 -5.82 2 2 0 32 293.819 5

Activity (Go SEA)

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