UCSF

ZINC36669140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 4.07 7.58 -42.81 2 2 1 20 332.281 7
Hi High (pH 8-9.5) 4.07 6.39 -2.6 1 2 0 15 331.273 7
Mid Mid (pH 6-8) 4.07 9.57 -124.14 3 2 2 21 333.289 7
Mid Mid (pH 6-8) 4.07 8.17 -36.75 2 2 1 16 332.281 7

Activity (Go SEA)

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