UCSF

ZINC23994973

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 27 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) -0.02 2.74 -16.75 1 8 0 82 371.441 4
Mid Mid (pH 6-8) -0.02 4.97 -61.72 2 8 1 83 372.449 4

Activity (Go SEA)

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