UCSF

ZINC19169069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 9 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) 0.10 1.69 -30.34 3 3 1 40 131.199 2
Hi High (pH 8-9.5) 0.10 0.47 -2.27 2 3 0 38 130.191 2
Hi High (pH 8-9.5) 0.10 0.27 -33.89 3 3 1 40 131.199 2

Vendor Notes

Note Type Comments Provided By
BP 64 / 3 TCI

Activity (Go SEA)

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