UCSF

ZINC05395347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 19 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) 0.79 0.08 -13.99 4 8 0 119 377.142 2
Lo Low (pH 4.5-6) 0.79 -4.03 -35.27 5 8 1 121 378.15 2
Lo Low (pH 4.5-6) 0.79 0.34 -33.81 5 8 1 121 378.15 2

Activity (Go SEA)

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