UCSF

ZINC15146151

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 20 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) 5.04 11.88 -9.65 0 4 0 53 286.412 15

Vendor Notes

Note Type Comments Provided By
BP 190 / 10 TCI
MP 40 TCI

Activity (Go SEA)

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