UCSF

ZINC32015205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) 0.75 4.35 -119.34 4 3 2 41 228.311 6
Mid Mid (pH 6-8) 0.75 2.92 -36.74 3 3 1 37 227.303 6

Activity (Go SEA)

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