UCSF

ZINC36204243

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) 2.01 2.62 -9.32 2 3 0 41 216.35 6
Mid Mid (pH 6-8) 2.01 3.81 -39.39 3 3 1 46 217.358 6

Activity (Go SEA)

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