UCSF

ZINC02529147

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 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) 1.57 6.96 -118.65 0 4 -2 80 186.207 6
Lo Low (pH 4.5-6) 1.57 4.94 -47.26 1 4 -1 77 187.215 6

Vendor Notes

Note Type Comments Provided By
MP 78 TCI

Activity (Go SEA)

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