UCSF

ZINC05336982

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 25 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) 5.73 8.55 -14.07 2 4 0 62 348.789 2
Lo Low (pH 4.5-6) 5.73 8.82 -29.72 3 4 1 63 349.797 2

Activity (Go SEA)

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