UCSF

ZINC68047756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2011 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) 2.05 5.16 -36.5 2 4 1 37 293.431 8
Hi High (pH 8-9.5) 2.05 2.89 -6.37 1 4 0 36 292.423 8

Activity (Go SEA)

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