UCSF

ZINC36232529

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 0.66 2.37 -8.44 2 3 0 38 216.35 3
Mid Mid (pH 6-8) 0.66 4.01 -39.65 3 3 1 40 217.358 3

Activity (Go SEA)

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