UCSF

ZINC23338360

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 2.84 8.73 -92.66 4 5 2 53 388.6 8
Hi High (pH 8-9.5) 2.84 7.59 -36.21 3 5 1 49 387.592 8
Lo Low (pH 4.5-6) 2.84 9.77 -112.51 4 5 2 50 388.6 8

Activity (Go SEA)

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