UCSF

ZINC19618981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 21 Yes

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 1.02 -7.74 1 5 0 59 373.689 5
Mid Mid (pH 6-8) 2.77 3.29 -45.45 2 5 1 60 374.697 5

Activity (Go SEA)

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