UCSF

ZINC26958790

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 25 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) 2.14 3.35 -14.79 1 7 0 85 370.471 8
Mid Mid (pH 6-8) 2.14 5.35 -49.72 2 7 1 86 371.479 8

Activity (Go SEA)

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