UCSF

ZINC00811125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 23 Yes

Other Names:

MFCD05239863

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) 2.85 8.02 -11.8 0 5 0 46 312.369 7
Lo Low (pH 4.5-6) 2.85 8.7 -28.29 1 5 1 47 313.377 7

Activity (Go SEA)

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