UCSF

ZINC32903638

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 27 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) 5.93 12.86 -22.47 1 6 0 88 442.711 5
Hi High (pH 8-9.5) 6.00 11.94 -47.44 0 6 -1 94 441.703 5

Activity (Go SEA)

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