UCSF

ZINC41568761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 12 Yes

Other Names:

MFCD08447061

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) 2.07 3.43 -7.87 1 3 0 46 163.176 1
Hi High (pH 8-9.5) 2.52 0.8 -48.09 0 3 -1 49 162.168 1

Activity (Go SEA)

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