UCSF

ZINC36871886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) -0.63 0.65 -42.07 3 5 1 66 219.305 8
Hi High (pH 8-9.5) -0.63 0.24 -6.26 2 5 0 65 218.297 8

Activity (Go SEA)

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