UCSF

ZINC41686672

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.71 9.07 -53.24 1 3 1 26 235.351 4
Hi High (pH 8-9.5) 1.71 6.6 -11.76 0 3 0 25 234.343 4

Activity (Go SEA)

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