UCSF

ZINC39370712

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 34 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) 7.06 16.44 -13.99 2 8 0 102 456.502 10
Mid Mid (pH 6-8) 7.06 16.53 -35.33 3 8 1 104 457.51 10

Activity (Go SEA)

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