UCSF

ZINC43704196

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 14 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) 0.35 2.55 -43.86 0 4 -1 53 212.147 3
Lo Low (pH 4.5-6) 0.35 4.7 -56.97 1 4 0 54 213.155 3

Activity (Go SEA)

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