UCSF

ZINC36192556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.28 4.77 -64.59 1 4 0 48 200.282 4
Lo Low (pH 4.5-6) 0.28 7.02 -95.63 2 4 1 49 201.29 4

Activity (Go SEA)

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