UCSF

ZINC00661448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Other Names:

MFCD03692540

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) 4.99 -3.65 -16.25 3 7 0 95 453.907 4
Lo Low (pH 4.5-6) 4.99 -3.53 -41.35 4 7 1 96 454.915 4

Activity (Go SEA)

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