UCSF

ZINC37813183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.92 5.95 -13.41 1 5 0 59 290.363 6
Lo Low (pH 4.5-6) 0.92 7.24 -43.58 2 5 1 63 291.371 6

Activity (Go SEA)

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