UCSF

ZINC37202085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.96 6.63 -46.29 2 3 1 29 318.268 6
Hi High (pH 8-9.5) 2.96 5.36 -3.03 1 3 0 24 317.26 6
Mid Mid (pH 6-8) 2.96 7.37 -38.78 2 3 1 26 318.268 6
Lo Low (pH 4.5-6) 2.96 8.72 -128.07 3 3 2 30 319.276 6

Activity (Go SEA)

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