UCSF

ZINC00867056

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 28 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) 4.60 8.85 -9.85 2 5 0 59 414.859 5
Mid Mid (pH 6-8) 4.78 9.25 -32.8 3 5 1 64 415.867 5

Activity (Go SEA)

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