UCSF

ZINC17293224

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 23 No

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) 5.76 6.44 -8.72 2 4 0 65 409.692 2
Mid Mid (pH 6-8) 5.28 6.52 -39.87 1 4 -1 64 408.684 3
Mid Mid (pH 6-8) 5.76 7.21 -35.13 1 4 -1 68 408.684 2

Activity (Go SEA)

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