UCSF

ZINC23071626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) -0.91 5.53 -45.89 3 3 1 45 200.265 1
Hi High (pH 8-9.5) -0.91 5.21 -5.49 2 3 0 44 199.257 1
Mid Mid (pH 6-8) -0.91 6.01 -114.12 4 3 2 47 201.273 1

Activity (Go SEA)

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