UCSF

ZINC39379044

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 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) 3.45 6.61 -9.06 0 4 0 44 298.317 4
Lo Low (pH 4.5-6) 3.45 7.58 -30.86 1 4 1 45 299.325 4

Activity (Go SEA)

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