UCSF

ZINC42779561

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 3.04 8.41 -37.98 1 1 1 4 230.784 3
Mid Mid (pH 6-8) 3.04 6.35 -3.73 0 1 0 3 229.776 3

Activity (Go SEA)

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