UCSF

ZINC13895355

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 23 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) 3.36 4.41 -52.13 2 8 -1 131 334.695 4
Mid Mid (pH 6-8) 3.36 4.65 -54.08 2 8 -1 131 334.695 4
Lo Low (pH 4.5-6) 3.36 3.62 -25.05 3 8 0 128 335.703 4

Activity (Go SEA)

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