UCSF

ZINC04981410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 16 Yes

Other Names:

MFCD01454124

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) 3.24 6.69 -36.12 2 2 1 29 219.352 3
Lo Low (pH 4.5-6) 3.24 6.96 -108.25 3 2 2 31 220.36 3

Activity (Go SEA)

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