UCSF

ZINC37874901

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 1.69 0.07 -7.11 2 5 0 54 300.786 6
Mid Mid (pH 6-8) 1.69 2.33 -42.95 3 5 1 55 301.794 6

Activity (Go SEA)

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