UCSF

ZINC32913662

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 24 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) 1.59 5.4 -34.19 2 7 0 95 346.412 4
Hi High (pH 8-9.5) 1.59 6.32 -89.02 1 7 -1 98 345.404 4
Hi High (pH 8-9.5) 1.78 5.23 -148.92 0 7 -2 105 344.396 4

Activity (Go SEA)

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