UCSF

ZINC41076883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 29 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) 5.92 13.28 -12.27 1 4 0 47 421.953 6
Lo Low (pH 4.5-6) 5.92 13.73 -36.85 2 4 1 48 422.961 6

Activity (Go SEA)

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