UCSF

ZINC23340226

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 32 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) 3.93 8.06 -12.29 1 6 0 56 441.616 8
Lo Low (pH 4.5-6) 3.93 11.27 -118.74 3 6 2 62 443.632 8
Lo Low (pH 4.5-6) 3.93 9.99 -37.47 2 6 1 57 442.624 8

Activity (Go SEA)

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