UCSF

ZINC32925414

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.08 -1.39 -19.67 2 9 0 108 416.887 5
Mid Mid (pH 6-8) -0.08 0.88 -62.54 3 9 1 109 417.895 5

Activity (Go SEA)

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