UCSF

ZINC36616818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 2.01 10.97 -52.64 1 6 1 55 380.447 2
Mid Mid (pH 6-8) 2.01 8.74 -15.85 0 6 0 54 379.439 2

Activity (Go SEA)

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