UCSF

ZINC19938313

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 35 No

Other Names:

MFCD03461851

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) 5.19 13.99 -69.57 1 6 0 74 476.617 10
Hi High (pH 8-9.5) 5.19 11.46 -58.45 0 6 -1 73 475.609 10

Activity (Go SEA)

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