UCSF

ZINC14855894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 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) -1.13 -3.28 -13.29 5 8 0 130 265.273 2
Lo Low (pH 4.5-6) -1.13 -3.01 -35.54 6 8 1 132 266.281 2
Lo Low (pH 4.5-6) -1.13 -7.4 -35.7 6 8 1 132 266.281 2

Activity (Go SEA)

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