UCSF

ZINC42276830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 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) 0.99 4.04 -36.37 2 4 1 46 229.344 4
Mid Mid (pH 6-8) 0.99 2.65 -6.61 1 4 0 42 228.336 4

Activity (Go SEA)

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