UCSF

ZINC16609514

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 3.90 7.94 -10.63 0 5 0 47 349.434 3
Ref Reference (pH 7) 3.90 7.67 -12.44 0 5 0 47 349.434 3
Lo Low (pH 4.5-6) 3.90 9.66 -45.5 1 5 1 48 350.442 3

Activity (Go SEA)

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