UCSF

ZINC34622642

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 3.55 7.61 -9.16 0 4 0 40 285.343 5
Lo Low (pH 4.5-6) 3.55 7.98 -39.55 1 4 1 42 286.351 5

Activity (Go SEA)

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