UCSF

ZINC02601743

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 20 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) 3.36 7.83 -8.69 1 4 0 47 273.38 6
Mid Mid (pH 6-8) 3.36 8.38 -30.01 2 4 1 48 274.388 6

Activity (Go SEA)

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