UCSF

ZINC26268027

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 26 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) 2.99 9.33 -15.19 2 6 0 80 368.462 7
Mid Mid (pH 6-8) 3.45 8.49 -50.18 1 6 -1 83 367.454 7

Activity (Go SEA)

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