UCSF

ZINC05335927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 21 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) 4.10 8.35 -11.45 1 4 0 58 315.785 2
Lo Low (pH 4.5-6) 4.10 8 -31.23 2 4 1 59 316.793 2

Activity (Go SEA)

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