UCSF

ZINC65434443

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2011 19 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) 1.49 6.65 -37.63 2 5 1 51 261.349 4
Hi High (pH 8-9.5) 1.49 4.44 -10.1 1 5 0 50 260.341 4
Lo Low (pH 4.5-6) 1.49 7.14 -86.32 3 5 2 52 262.357 4

Activity (Go SEA)

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