UCSF

ZINC01732837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 No

Other Names:

MFCD00523382

N/A

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) 0.19 5.65 -53.23 0 5 -1 78 212.225 6
Lo Low (pH 4.5-6) 0.19 3.67 -13.66 1 5 0 75 213.233 6

Activity (Go SEA)

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