UCSF

ZINC45702906

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 2.91 5.94 -6.36 0 3 0 25 302.871 5
Mid Mid (pH 6-8) 2.91 7.89 -41.25 1 3 1 27 303.879 5

Activity (Go SEA)

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