UCSF

ZINC37873101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 2.38 4.39 -39.16 3 2 1 37 230.278 5
Hi High (pH 8-9.5) 2.38 3.13 -3.98 2 2 0 32 229.27 5

Activity (Go SEA)

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