UCSF

ZINC04922212

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) 3.27 8.78 -12.29 1 4 0 55 363.486 5
Lo Low (pH 4.5-6) 3.27 9.02 -34.04 2 4 1 56 364.494 5
Lo Low (pH 4.5-6) 3.27 9.06 -45.43 2 4 1 56 364.494 5
Lo Low (pH 4.5-6) 3.27 9.3 -77.53 3 4 2 57 365.502 5

Activity (Go SEA)

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