UCSF

ZINC08685965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 23 Yes

Other Names:

MFCD05742139

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) 2.71 6.27 -21.01 2 5 0 87 304.305 2
Lo Low (pH 4.5-6) 2.72 4.88 -17.42 2 5 0 83 304.305 2

Activity (Go SEA)

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