UCSF

ZINC00798985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 27 No

Other Names:

MFCD03717362

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) 1.79 4.95 -60.23 1 7 -1 107 364.333 5
Lo Low (pH 4.5-6) 1.79 4.2 -14.41 2 7 0 104 365.341 5

Activity (Go SEA)

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