UCSF

ZINC34625021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 19 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) 2.47 2.79 -6.85 1 3 0 45 250.301 1
Ref Reference (pH 7) 2.66 5.45 -9.11 1 3 0 41 250.301 1
Lo Low (pH 4.5-6) 2.66 6.33 -29.71 2 3 1 43 251.309 1

Activity (Go SEA)

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