UCSF

ZINC37870233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) 1.91 1.81 -36.09 4 3 1 60 173.28 6
Hi High (pH 8-9.5) 1.91 0.83 -5.7 3 3 0 55 172.272 6

Activity (Go SEA)

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