UCSF

ZINC52220505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 3.37 7.89 -43.58 2 3 1 34 302.225 6
Hi High (pH 8-9.5) 3.37 5.78 -7.45 1 3 0 32 301.217 6

Activity (Go SEA)

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