UCSF

ZINC20154653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) 3.04 3.98 -24.61 4 4 0 71 301.396 3
Mid Mid (pH 6-8) 3.04 4.77 -67.04 3 4 -1 74 300.388 3

Activity (Go SEA)

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