UCSF

ZINC35436390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 32 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) -0.47 1.42 -15.71 1 10 0 100 448.568 11
Mid Mid (pH 6-8) -0.47 3.69 -51.05 2 10 1 101 449.576 11
Mid Mid (pH 6-8) -0.47 3.7 -54.77 2 10 1 101 449.576 11
Lo Low (pH 4.5-6) -0.47 5.97 -101.18 3 10 2 103 450.584 11

Activity (Go SEA)

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