UCSF

ZINC34839476

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 4.83 10.33 -12.55 2 7 0 79 419.529 5
Lo Low (pH 4.5-6) 4.83 10.78 -37.34 3 7 1 81 420.537 5
Lo Low (pH 4.5-6) 4.83 10.79 -38.47 3 7 1 81 420.537 5

Activity (Go SEA)

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