UCSF

ZINC26859528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 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) -0.77 3.43 -54.74 2 6 1 72 281.361 2
Mid Mid (pH 6-8) -0.77 1.15 -18.89 1 6 0 71 280.353 2
Lo Low (pH 4.5-6) -0.77 3.83 -105 3 6 2 73 282.369 2

Activity (Go SEA)

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