UCSF

ZINC20219740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 38 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) 2.07 5.79 -64.98 0 10 -1 110 523.562 9
Mid Mid (pH 6-8) 2.07 8.12 -80.12 1 10 0 111 524.57 9

Activity (Go SEA)

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