UCSF

ZINC19519628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.65 2.69 -32.44 4 4 1 64 248.35 3
Lo Low (pH 4.5-6) 0.65 4.65 -100.49 5 4 2 65 249.358 3

Activity (Go SEA)

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