UCSF

ZINC52259826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 10 Yes

Other Names:

MFCD16749562

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) 0.40 2.61 -108.7 0 3 -2 63 142.154 2
Mid Mid (pH 6-8) 0.40 2.37 -47.38 1 3 -1 60 143.162 2

Activity (Go SEA)

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