UCSF

ZINC08451049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 31 Yes

Other Names:

MFCD03075799

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) 5.72 -4.01 -11.04 3 5 0 77 433.577 4
Lo Low (pH 4.5-6) 5.72 -3.89 -34.51 4 5 1 78 434.585 4

Activity (Go SEA)

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