UCSF

ZINC00827869

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 31 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) 5.54 0.54 -11.88 1 6 0 65 416.477 7
Mid Mid (pH 6-8) 5.54 0.74 -30.97 2 6 1 66 417.485 7

Activity (Go SEA)

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