UCSF

ZINC54668088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 17 No

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) 1.92 7.24 -8.71 3 4 0 60 254.403 2
Hi High (pH 8-9.5) 2.65 7.15 -40.49 2 4 -1 57 253.395 2

Activity (Go SEA)

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