UCSF

ZINC26420603

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 12 Yes

Other Names:

MFCD14540266

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) 1.53 5.5 -25.2 3 3 1 45 162.216 0
Mid Mid (pH 6-8) 1.53 5.09 -11.31 2 3 0 43 161.208 0

Activity (Go SEA)

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