UCSF

ZINC32263062

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 33 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) 3.38 10.36 -20.65 1 7 0 82 472.655 10
Lo Low (pH 4.5-6) 3.38 11.25 -43.64 2 7 1 84 473.663 10

Activity (Go SEA)

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