UCSF

ZINC36366937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 2.44 6.49 -10.48 1 5 0 63 342.761 2
Ref Reference (pH 7) 2.25 9.15 -11.95 1 5 0 60 342.761 2
Lo Low (pH 4.5-6) 2.44 6.96 -37.13 2 5 1 65 343.769 2
Lo Low (pH 4.5-6) 2.25 9.61 -49.59 2 5 1 61 343.769 2
Lo Low (pH 4.5-6) 2.25 9.62 -37.86 2 5 1 61 343.769 2

Activity (Go SEA)

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