UCSF

ZINC20082072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.70 9.24 -116.65 4 3 2 35 291.483 5
Mid Mid (pH 6-8) 2.70 6.93 -47.66 3 3 1 34 290.475 5

Activity (Go SEA)

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