UCSF

ZINC36278187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 0.98 -0.02 -48.58 4 6 1 78 280.348 5
Hi High (pH 8-9.5) 0.98 0.99 -83.55 3 6 0 81 279.34 5

Activity (Go SEA)

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