UCSF

ZINC19938507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 No

Other Names:

MFCD03687191

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) 2.26 10.12 -76.64 1 6 0 78 393.487 9
Lo Low (pH 4.5-6) 2.26 9.37 -48.85 2 6 1 75 394.495 9

Activity (Go SEA)

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