UCSF

ZINC37840105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.97 2.91 -12.75 1 5 0 70 324.324 6
Hi High (pH 8-9.5) 2.43 0.83 -48.27 0 5 -1 73 323.316 6

Activity (Go SEA)

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