UCSF

ZINC32158202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 No

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) 1.77 6.28 -49.88 3 4 1 49 295.428 6
Hi High (pH 8-9.5) 1.77 3.9 -14.81 2 4 0 48 294.42 6

Activity (Go SEA)

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