UCSF

ZINC19842147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 12 Yes

Other Names:

MFCD28126543

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) 1.30 5.07 -38.74 3 1 1 28 184.328 3
Hi High (pH 8-9.5) 1.30 4.72 -2.62 2 1 0 26 183.32 3

Activity (Go SEA)

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