UCSF

ZINC05162945

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 13 Yes

Other Names:

MFCD01691745

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) 2.22 6.06 -6.33 0 2 0 26 171.199 2
Lo Low (pH 4.5-6) 2.22 6.26 -32.36 1 2 1 27 172.207 2

Activity (Go SEA)

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