UCSF

ZINC40456439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 No

Other Names:

MFCD13026990

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) 3.00 7.28 -43.37 1 3 -1 42 218.305 2
Mid Mid (pH 6-8) 3.00 7.32 -27.55 2 3 0 43 219.313 2

Activity (Go SEA)

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