UCSF

ZINC19871909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

Other Names:

MFCD07188571

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) 1.78 2.57 -5.56 1 4 0 34 264.369 7
Mid Mid (pH 6-8) 1.78 3.98 -45.28 2 4 1 38 265.377 7
Lo Low (pH 4.5-6) 1.78 4.9 -39.15 2 4 1 35 265.377 7

Activity (Go SEA)

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