UCSF

ZINC19832315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 No

Other Names:

MFCD01161521

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) 6.47 14.11 -12.49 0 4 0 48 388.492 3
Ref Reference (pH 7) 6.47 12.38 -11.74 0 4 0 48 388.492 3
Lo Low (pH 4.5-6) 6.47 14.44 -23.11 1 4 1 49 389.5 3
Lo Low (pH 4.5-6) 6.47 12.83 -24.39 1 4 1 49 389.5 3

Activity (Go SEA)

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