UCSF

ZINC00984081

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 19 Yes

Other Names:

MFCD02325519

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) 5.47 8.29 -6.73 1 2 0 25 289.165 2
Lo Low (pH 4.5-6) 5.47 8.56 -30.63 2 2 1 26 290.173 2

Activity (Go SEA)

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