UCSF

ZINC15016124

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 No

Other Names:

MFCD03271271

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) 5.01 6.14 -10.09 2 5 0 75 374.849 3
Ref Reference (pH 7) 5.01 6.51 -9.81 2 5 0 75 374.849 3
Hi High (pH 8-9.5) 5.47 4.75 -43.42 1 5 -1 78 373.841 3
Hi High (pH 8-9.5) 5.47 4.16 -45.23 1 5 -1 78 373.841 3

Activity (Go SEA)

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