UCSF

ZINC19635949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 1.00 5.53 -122.42 3 5 2 51 245.367 6
Mid Mid (pH 6-8) 1.00 4.4 -41.84 2 5 1 46 244.359 6

Activity (Go SEA)

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