UCSF

ZINC06480979

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 24 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) 2.46 4.92 -51.3 3 5 1 63 328.388 2
Mid Mid (pH 6-8) 2.46 2.55 -10.65 2 5 0 62 327.38 2

Activity (Go SEA)

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