UCSF

ZINC21638109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 2.17 7.46 -44.79 2 6 1 63 318.445 3
Mid Mid (pH 6-8) 2.17 5 -9.46 1 6 0 61 317.437 3

Activity (Go SEA)

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