UCSF

ZINC19943135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 No

Other Names:

MFCD00741505

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) 2.50 5.57 -8.29 2 5 0 101 333.37 1
Lo Low (pH 4.5-6) 2.50 5.39 -48.45 3 5 1 102 334.378 1

Activity (Go SEA)

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