UCSF

ZINC16444660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 26 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) 2.88 8.14 -13.14 1 6 0 75 371.462 7
Mid Mid (pH 6-8) 2.88 10.43 -61.43 2 6 1 76 372.47 7
Mid Mid (pH 6-8) 3.33 7.78 -45.97 1 6 0 80 371.462 7

Activity (Go SEA)

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