UCSF

ZINC32154613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 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) 1.79 3.92 -6.76 0 3 0 22 203.241 3
Mid Mid (pH 6-8) 1.79 6.29 -43.11 1 3 1 23 204.249 3

Vendor Notes

Note Type Comments Provided By
bp 112 - 115 (p=1 torr) MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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