UCSF

ZINC34953160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.64 13.26 -65.63 1 5 0 65 440.971 8
Lo Low (pH 4.5-6) 4.64 12.37 -43.28 2 5 1 62 441.979 8

Activity (Go SEA)

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