UCSF

ZINC05395301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 14 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) -0.65 4.18 -17.07 0 4 0 50 190.202 1
Lo Low (pH 4.5-6) -0.65 4.48 -32.92 1 4 1 52 191.21 1

Activity (Go SEA)

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