UCSF

ZINC26567965

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 24 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) 4.20 7.51 -10.44 2 5 0 71 339.42 5
Mid Mid (pH 6-8) 4.20 7.64 -27.31 2 5 0 74 339.42 5
Mid Mid (pH 6-8) 4.20 7.46 -46.03 1 5 -1 73 338.412 5

Activity (Go SEA)

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