UCSF

ZINC01078179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 5.16 11.41 -11.37 2 4 0 58 403.482 6
Mid Mid (pH 6-8) 5.16 11.83 -39.85 3 4 1 59 404.49 6

Activity (Go SEA)

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