UCSF

ZINC36882145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.91 1.55 -11.71 2 5 0 75 218.212 2
Hi High (pH 8-9.5) 1.37 -0.29 -50.02 1 5 -1 78 217.204 2

Activity (Go SEA)

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