UCSF

ZINC38415898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 11 Yes

Other Names:

MFCD21094106

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) -0.47 0.96 -100.77 4 3 2 41 160.261 4
Hi High (pH 8-9.5) -0.47 -0.44 -32.22 3 3 1 37 159.253 4
Mid Mid (pH 6-8) -0.47 -1.49 -36.08 3 3 1 40 159.253 4

Activity (Go SEA)

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