UCSF

ZINC00985873

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 32 No

Other Names:

MFCD02946932

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) 5.46 8.29 -7.03 3 6 0 97 469.372 5
Lo Low (pH 4.5-6) 5.47 8.51 -57.46 4 6 1 99 470.38 5

Activity (Go SEA)

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