UCSF

ZINC37786715

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 1.82 7.03 -35.48 2 4 1 34 237.371 8
Hi High (pH 8-9.5) 1.82 4.91 -4.36 1 4 0 33 236.363 8

Activity (Go SEA)

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