UCSF

ZINC40538657

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 Yes

Other Names:

MFCD06212961

MFCD24387907

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) -0.37 1.98 -93.46 5 4 2 60 194.282 2
Hi High (pH 8-9.5) -0.37 0.67 -46.73 4 4 1 56 193.274 2
Lo Low (pH 4.5-6) -0.37 2.29 -175.83 6 4 3 62 195.29 2

Activity (Go SEA)

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