UCSF

ZINC36791514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 2.66 6.75 -11.85 2 3 0 42 237.372 5
Mid Mid (pH 6-8) 2.66 7.17 -40.92 3 3 1 43 238.38 5

Activity (Go SEA)

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