UCSF

ZINC00703159

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 No

Other Names:

MFCD03861520

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) 2.83 9.45 -43.1 0 6 -1 83 431.493 5
Lo Low (pH 4.5-6) 3.27 -2.4 -31.07 1 6 0 79 432.501 4
Lo Low (pH 4.5-6) 2.24 -2.2 -22.44 0 6 0 76 432.501 5
Lo Low (pH 4.5-6) 3.27 -2.29 -54.36 2 6 1 80 433.509 4
Lo Low (pH 4.5-6) 2.24 -2.09 -55.41 1 6 1 77 433.509 5

Activity (Go SEA)

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