UCSF

ZINC01785873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 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) 7.34 2.86 -2.48 1 1 0 12 281.443 4

Vendor Notes

Note Type Comments Provided By
MP 108 TCI
BP 195 / 3 TCI

Activity (Go SEA)

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