UCSF

ZINC04891234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 26 No

Other Names:

MFCD01460369

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) 2.95 4.46 -9.68 3 6 0 97 344.374 3
Ref Reference (pH 7) 2.95 3.8 -9.36 3 6 0 97 344.374 3
Lo Low (pH 4.5-6) 2.95 4.72 -56.57 4 6 1 99 345.382 3

Activity (Go SEA)

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