UCSF

ZINC26844918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 26 Yes

Other Names:

MFCD11853876

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) 3.58 6.71 -10.73 0 5 0 50 394.924 5
Mid Mid (pH 6-8) 3.58 8.98 -49.63 1 5 1 51 395.932 5

Activity (Go SEA)

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