UCSF

ZINC39957451

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 13 No

Other Names:

MFCD02334722

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) 0.72 2.47 -64.44 3 3 1 52 174.227 2
Mid Mid (pH 6-8) 0.72 2.1 -9.83 2 3 0 51 173.219 2

Activity (Go SEA)

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