UCSF

ZINC08384605

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 34 No

Other Names:

MFCD03501926

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) 1.94 -1.06 -58.55 2 8 1 93 464.542 10
Mid Mid (pH 6-8) 1.35 -1.22 -67.71 1 8 1 90 464.542 10
Lo Low (pH 4.5-6) 2.38 -1.34 -122.54 3 8 2 94 465.55 9
Lo Low (pH 4.5-6) 1.35 -1.11 -123.85 2 8 2 91 465.55 10

Activity (Go SEA)

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