UCSF

ZINC35765979

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 Yes

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) 2.39 9.42 -36.42 3 2 1 30 283.439 5
Mid Mid (pH 6-8) 2.39 9.76 -133.58 4 2 2 32 284.447 5

Activity (Go SEA)

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