UCSF

ZINC37877390

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 0.01 1.13 -104.29 5 4 2 61 232.368 7
Mid Mid (pH 6-8) 0.01 -0.98 -42.07 4 4 1 60 231.36 7

Activity (Go SEA)

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