UCSF

ZINC35433265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.11 9.42 -80.09 2 6 1 66 289.359 4
Hi High (pH 8-9.5) 2.11 6.75 -60.72 0 6 -1 64 287.343 4
Mid Mid (pH 6-8) 2.11 7.23 -46.56 1 6 0 65 288.351 4
Lo Low (pH 4.5-6) 2.11 8.96 -63.75 1 6 0 65 288.351 4

Activity (Go SEA)

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