UCSF

ZINC34994839

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.10 3.89 -44.06 2 4 1 42 249.334 6
Hi High (pH 8-9.5) 2.10 2.52 -7.34 1 4 0 38 248.326 6
Mid Mid (pH 6-8) 2.10 6.36 -117.93 3 4 2 43 250.342 6
Mid Mid (pH 6-8) 2.10 4.99 -39.55 2 4 1 39 249.334 6

Activity (Go SEA)

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