UCSF

ZINC45624453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 0.10 1.54 -45.37 6 6 1 103 356.244 4
Hi High (pH 8-9.5) 0.10 -0.65 -13.77 5 6 0 101 355.236 4

Activity (Go SEA)

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