UCSF

ZINC35125672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 1.83 7.39 -62.63 1 5 -1 78 290.339 6
Mid Mid (pH 6-8) 1.83 4.9 -14.54 2 5 0 76 291.347 6

Activity (Go SEA)

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