UCSF

ZINC19923414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Other Names:

MFCD06015902

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) 3.22 8.37 -84.35 2 6 0 80 433.552 7
Lo Low (pH 4.5-6) 3.22 7.54 -51.81 3 6 1 77 434.56 7

Activity (Go SEA)

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