UCSF

ZINC09423387

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 No

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) 2.56 7.35 -13.94 0 6 0 69 374.396 3
Lo Low (pH 4.5-6) 2.56 1.76 -121.49 2 6 2 71 376.412 3
Lo Low (pH 4.5-6) 2.56 7.74 -43.07 1 6 1 70 375.404 3

Activity (Go SEA)

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