UCSF

ZINC43428890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.88 6.5 -6.46 0 3 0 25 236.29 1
Lo Low (pH 4.5-6) 2.88 6.86 -28.13 1 3 1 27 237.298 1

Activity (Go SEA)

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