UCSF

ZINC36332291

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 1.37 3.86 -41.32 2 5 1 73 284.405 3
Mid Mid (pH 6-8) 1.37 3.37 -15.66 1 5 0 72 283.397 3

Activity (Go SEA)

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