UCSF

ZINC20264552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 3.33 8.13 -56.74 0 8 -1 91 513.998 10
Mid Mid (pH 6-8) 3.33 10.47 -69.64 1 8 0 93 515.006 10

Activity (Go SEA)

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