UCSF

ZINC19872493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 Yes

Other Names:

MFCD07173429

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) 2.00 6.15 -40.87 1 6 -1 78 240.246 4
Mid Mid (pH 6-8) 2.00 6.17 -11.21 2 6 0 80 241.254 4

Activity (Go SEA)

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