UCSF

ZINC31097299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 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) 3.45 7.15 -45.55 3 5 1 55 348.492 8
Mid Mid (pH 6-8) 3.45 5.06 -13.62 2 5 0 54 347.484 8

Activity (Go SEA)

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