UCSF

ZINC42409815

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 No

Other Names:

MFCD28125960

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) -0.80 2.72 -38.62 2 4 1 54 171.22 4
Hi High (pH 8-9.5) -0.80 1.36 -9.22 1 4 0 49 170.212 4

Activity (Go SEA)

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