UCSF

ZINC36612268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 13 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) 0.14 3.54 -13.01 0 4 0 47 185.223 4
Mid Mid (pH 6-8) 0.14 5.33 -36.96 1 4 1 48 186.231 4

Activity (Go SEA)

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