UCSF

ZINC37869453

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.62 1.18 -36.77 5 4 1 80 237.323 4
Hi High (pH 8-9.5) 1.62 0.2 -8.6 4 4 0 75 236.315 4

Activity (Go SEA)

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