UCSF

ZINC34930184

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.88 13.37 -48.1 0 5 -1 67 497.983 5
Lo Low (pH 4.5-6) 5.42 15.33 -10.7 1 5 0 64 498.991 5

Activity (Go SEA)

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