UCSF

ZINC26508014

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 Yes

Other Names:

MFCD11557456

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) 0.49 7.88 -68.58 0 4 -1 62 248.233 3
Mid Mid (pH 6-8) 0.49 6.79 -43.36 1 4 0 65 249.241 3

Activity (Go SEA)

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