UCSF

ZINC08225499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 20 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) 3.40 6.41 -13.59 2 4 0 54 289.404 4
Lo Low (pH 4.5-6) 3.40 6.75 -32.3 3 4 1 55 290.412 4

Activity (Go SEA)

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