UCSF

ZINC04239334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 25 Yes

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) 4.12 8.92 -9.13 1 4 0 47 347.34 6
Lo Low (pH 4.5-6) 4.12 9.37 -30.37 2 4 1 48 348.348 6

Activity (Go SEA)

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