UCSF

ZINC36357726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 23 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) 3.57 7.54 -8.99 1 4 0 50 347.802 2
Ref Reference (pH 7) 3.39 10.19 -9.84 1 4 0 47 347.802 2
Lo Low (pH 4.5-6) 3.39 10.65 -45.92 2 4 1 48 348.81 2

Activity (Go SEA)

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