UCSF

ZINC51203988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 22 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) 3.53 8.56 -56.28 1 5 -1 60 317.438 5
Mid Mid (pH 6-8) 2.81 8.47 -15.49 2 5 0 63 318.446 5

Activity (Go SEA)

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