UCSF

ZINC37826875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.93 1.35 -89.95 4 6 2 71 273.377 4
Hi High (pH 8-9.5) -0.93 0.15 -40.01 3 6 1 66 272.369 4

Activity (Go SEA)

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