UCSF

ZINC32052766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 6.06 12.57 -53.08 1 3 -1 60 453.687 1
Lo Low (pH 4.5-6) 6.06 10.66 -5.79 2 3 0 58 454.695 1

Activity (Go SEA)

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