UCSF

ZINC37843241

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.65 2.5 -47.34 0 5 -1 67 328.744 8
Mid Mid (pH 6-8) 2.65 2.44 -13.26 1 5 0 65 329.752 8

Activity (Go SEA)

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