UCSF

ZINC14982811

Substance Information

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

Other Names:

MFCD07781293

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) 1.50 0.79 -9.33 2 4 0 63 245.278 5
Lo Low (pH 4.5-6) 1.50 1.46 -27.7 3 4 1 64 246.286 5

Activity (Go SEA)

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