UCSF

ZINC58126897

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.26 6.37 -11.85 1 6 0 48 368.481 6
Lo Low (pH 4.5-6) 3.26 8.53 -47.12 2 6 1 49 369.489 6
Lo Low (pH 4.5-6) 3.26 7.12 -25.76 2 6 0 49 369.489 6

Activity (Go SEA)

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