UCSF

ZINC04659773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 30 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) 2.77 3.69 -11.91 3 8 0 115 404.426 5
Mid Mid (pH 6-8) 2.77 2.69 -11.1 3 8 0 115 404.426 5
Lo Low (pH 4.5-6) 2.77 3.63 -57.2 4 8 1 117 405.434 5

Activity (Go SEA)

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