UCSF

ZINC06644703

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 12 No

Other Names:

MFCD04240853

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) -2.25 -0.25 -42.79 1 7 -1 112 171.088 2
Hi High (pH 8-9.5) -1.79 -2.93 -95.02 0 7 -2 115 170.08 2

Activity (Go SEA)

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