UCSF

ZINC17975678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 19 No

Other Names:

MFCD00523381

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) 1.80 7.02 -52.87 0 5 -1 78 266.317 6
Lo Low (pH 4.5-6) 1.80 5.9 -13.43 1 5 0 75 267.325 6

Activity (Go SEA)

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