UCSF

ZINC08732787

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 Yes

Other Names:

MFCD02049592

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) 6.94 -0.49 -9.26 3 4 0 68 477.633 5
Lo Low (pH 4.5-6) 6.94 -0.38 -30.65 4 4 1 69 478.641 5

Activity (Go SEA)

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