UCSF

ZINC34955400

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 No

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) 6.29 14.31 -65.53 0 6 -1 83 497.596 5
Lo Low (pH 4.5-6) 6.29 13.42 -15.69 1 6 0 80 498.604 5

Activity (Go SEA)

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