UCSF

ZINC43425501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.38 3.42 -14.87 2 5 0 59 313.467 6
Mid Mid (pH 6-8) 0.38 5.62 -48.36 3 5 1 60 314.475 6

Activity (Go SEA)

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