UCSF

ZINC20450449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 25 Yes

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 7.64 -39.13 1 4 1 20 344.523 4
Hi High (pH 8-9.5) 3.34 6.54 -4.4 0 4 0 19 343.515 4
Mid Mid (pH 6-8) 3.34 7.79 -35.65 1 4 1 20 344.523 4
Mid Mid (pH 6-8) 3.34 9.63 -83.3 2 4 2 21 345.531 4
Mid Mid (pH 6-8) 3.34 11.14 -111.68 2 4 2 21 345.531 4

Activity (Go SEA)

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