UCSF

ZINC02066673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 26 Yes

Other Names:

MFCD00482955

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) 6.92 1.53 -8.15 0 1 0 12 331.418 2
Lo Low (pH 4.5-6) 6.92 1.63 -34.39 1 1 1 14 332.426 2

Activity (Go SEA)

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