UCSF

ZINC38788914

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 17 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) 2.42 7.23 -53.59 1 4 -1 69 234.275 7
Lo Low (pH 4.5-6) 2.42 5.25 -14.89 2 4 0 66 235.283 7

Activity (Go SEA)

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