UCSF

ZINC19827756

Substance Information

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

Other Names:

MFCD01159965

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) 7.27 14.69 -10.77 0 3 0 34 404.56 3
Ref Reference (pH 7) 7.27 13.04 -10.04 0 3 0 34 404.56 3
Lo Low (pH 4.5-6) 7.27 14.99 -22.93 1 3 1 36 405.568 3
Lo Low (pH 4.5-6) 7.27 13.73 -24.55 1 3 1 36 405.568 3

Activity (Go SEA)

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