UCSF

ZINC26529446

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 23 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) 2.38 4.42 -14.17 1 6 0 88 332.381 7
Mid Mid (pH 6-8) 2.38 4.5 -38.86 0 6 -1 91 331.373 7

Activity (Go SEA)

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