UCSF

ZINC13127763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 No

Other Names:

MFCD03301801

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) 3.38 9.07 -59.05 0 5 -1 74 378.429 5
Lo Low (pH 4.5-6) 3.38 8.31 -12.51 1 5 0 71 379.437 5

Activity (Go SEA)

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