UCSF

ZINC36969491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) -2.37 -0.23 -50.25 2 9 -1 136 323.347 8
Hi High (pH 8-9.5) -2.37 -0.06 -136.7 1 9 -2 138 322.339 8

Activity (Go SEA)

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