UCSF

ZINC62473600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 24 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) 2.22 9 -55.75 2 5 1 50 331.415 7
Lo Low (pH 4.5-6) 2.22 9.46 -108.27 3 5 2 51 332.423 7

Activity (Go SEA)

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