UCSF

ZINC42457768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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 8.16 -35.63 3 3 1 43 266.434 5
Mid Mid (pH 6-8) 3.36 7.73 -11 2 3 0 42 265.426 5

Activity (Go SEA)

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