UCSF

ZINC45687567

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.40 5.77 -105.03 4 4 2 45 281.444 9
Hi High (pH 8-9.5) 0.40 4.98 -34.77 3 4 1 43 280.436 9
Hi High (pH 8-9.5) 0.40 2.48 -3.66 2 4 0 42 279.428 9
Lo Low (pH 4.5-6) 0.40 7.44 -235.3 5 4 3 46 282.452 9

Activity (Go SEA)

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