UCSF

ZINC19851873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 No

Other Names:

MFCD03297457

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) 2.89 6.48 -10.67 2 7 0 119 403.486 5
Lo Low (pH 4.5-6) 2.89 6.29 -53.3 3 7 1 121 404.494 5

Activity (Go SEA)

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