UCSF

ZINC05490535

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 30 No

Other Names:

MFCD03861274

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) 3.34 10.74 -58.84 0 5 -1 73 397.454 6
Mid Mid (pH 6-8) 3.79 0.15 -17.84 1 5 0 70 398.462 5
Mid Mid (pH 6-8) 2.76 0.24 -22.37 0 5 0 67 398.462 6
Lo Low (pH 4.5-6) 3.79 0.68 -50.55 2 5 1 71 399.47 5

Activity (Go SEA)

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