UCSF

ZINC19851456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 No

Other Names:

MFCD01929098

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) 5.14 9.46 -7.51 1 2 0 29 348.273 2
Lo Low (pH 4.5-6) 5.14 10.5 -52.39 2 2 1 34 349.281 2

Activity (Go SEA)

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