UCSF

ZINC19370745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 No

Other Names:

MFCD05157107

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) -0.36 2.63 -41.42 2 7 1 69 325.433 7
Hi High (pH 8-9.5) -0.36 0.39 -12.02 1 7 0 67 324.425 7

Activity (Go SEA)

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