UCSF

ZINC32609553

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 34 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) 2.82 10.61 -74.11 1 8 0 93 468.55 11
Hi High (pH 8-9.5) 2.82 8.38 -65.46 0 8 -1 91 467.542 11
Lo Low (pH 4.5-6) 2.82 9.79 -52.62 2 8 1 90 469.558 11

Activity (Go SEA)

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