UCSF

ZINC34940073

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.02 8.49 -43.52 3 3 1 34 298.863 5
Mid Mid (pH 6-8) 2.02 6.27 -10.47 2 3 0 32 297.855 5

Activity (Go SEA)

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