UCSF

ZINC01732847

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 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) 2.29 0.87 -46.28 0 3 -1 49 193.222 6

Vendor Notes

Note Type Comments Provided By
BP 165 / 2 TCI
MP 63 TCI

Activity (Go SEA)

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