UCSF

ZINC00689566

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 Yes

Other Names:

MFCD02028989

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) 5.25 -2.68 -9.96 3 4 0 68 365.502 2
Lo Low (pH 4.5-6) 5.25 -2.61 -33.98 4 4 1 69 366.51 2

Activity (Go SEA)

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