UCSF

ZINC02379615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 17 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) 2.39 -0.96 -10.11 4 4 0 81 232.235 2
Hi High (pH 8-9.5) 2.39 -0.04 -49.31 3 4 -1 84 231.227 2
Hi High (pH 8-9.5) 2.39 -0.19 -51.39 3 4 -1 84 231.227 2

Vendor Notes

Note Type Comments Provided By
MP 151 TCI

Activity (Go SEA)

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