UCSF

ZINC19885859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 Yes

Other Names:

MFCD13565555

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) 1.96 3.25 -14.94 3 5 0 71 286.331 5
Hi High (pH 8-9.5) 1.96 4.04 -54.72 2 5 -1 73 285.323 5

Activity (Go SEA)

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