UCSF

ZINC00395332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 Yes

Other Names:

MFCD00088194

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) 1.61 4.06 -10.06 2 4 0 54 227.267 3
Lo Low (pH 4.5-6) 1.61 4.53 -41.66 3 4 1 55 228.275 3

Activity (Go SEA)

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