UCSF

ZINC34955275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 6.22 15.73 -60.98 0 8 -1 119 512.567 5
Lo Low (pH 4.5-6) 6.22 14.84 -17.8 1 8 0 116 513.575 5

Activity (Go SEA)

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