UCSF

ZINC36157851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.19 2.37 -40.29 3 2 1 37 206.718 3
Hi High (pH 8-9.5) 2.19 0.85 -2.3 2 2 0 32 205.71 3

Activity (Go SEA)

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