UCSF

ZINC08451166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 30 Yes

Other Names:

MFCD03303333

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) 5.71 -1.2 -6.13 3 4 0 68 437.531 4
Lo Low (pH 4.5-6) 5.71 -1.12 -33.89 4 4 1 69 438.539 4

Activity (Go SEA)

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