UCSF

ZINC43424910

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.86 3.69 -2.09 3 3 0 40 267.437 2
Lo Low (pH 4.5-6) 2.86 5.45 -20.75 4 3 0 41 268.445 2

Activity (Go SEA)

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