UCSF

ZINC05041334

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 31 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) 4.63 9.88 -15.73 1 6 0 71 416.477 5
Hi High (pH 8-9.5) 4.63 10.63 -48.76 0 6 -1 74 415.469 5

Activity (Go SEA)

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