UCSF

ZINC37804492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.83 5.62 -42.33 3 3 1 48 271.331 5
Mid Mid (pH 6-8) 1.83 5.28 -5.56 2 3 0 46 270.323 5

Activity (Go SEA)

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