UCSF

ZINC39034569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 32 No

Other Names:

MFCD20260753

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) 6.59 14.18 -49.71 0 3 -1 57 439.66 2
Lo Low (pH 4.5-6) 6.59 12.47 -7.79 1 3 0 54 440.668 2

Activity (Go SEA)

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