UCSF

ZINC08413850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 Yes

Other Names:

MFCD01994725

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) 6.44 -0.22 -9.23 3 4 0 68 463.484 4
Lo Low (pH 4.5-6) 6.44 -0.1 -36.02 4 4 1 69 464.492 4

Activity (Go SEA)

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