UCSF

ZINC19901619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Other Names:

MFCD12551633

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) 3.92 5.77 -6.1 2 3 0 41 322.202 4
Hi High (pH 8-9.5) 3.92 6.56 -45.87 1 3 -1 44 321.194 4

Activity (Go SEA)

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