UCSF

ZINC43405200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

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) 1.26 6.89 -108.54 4 4 2 58 270.38 4
Hi High (pH 8-9.5) 1.26 6.46 -54.78 3 4 1 57 269.372 4
Lo Low (pH 4.5-6) 1.26 7.34 -174.98 5 4 3 59 271.388 4

Activity (Go SEA)

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