UCSF

ZINC20264654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 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) 3.09 8.93 -56.56 0 8 -1 91 511.57 11
Mid Mid (pH 6-8) 3.09 11.26 -76.54 1 8 0 93 512.578 11
Lo Low (pH 4.5-6) 3.09 10.44 -59.37 2 8 1 90 513.586 11

Activity (Go SEA)

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