UCSF

ZINC32099058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 27 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) 6.54 10.91 -55.13 1 5 -1 78 366.437 9

Vendor Notes

Note Type Comments Provided By
Boiling_Point n.d. Squarix

Activity (Go SEA)

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