UCSF

ZINC43261108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.48 5.75 -45.12 3 3 1 44 355.325 6
Hi High (pH 8-9.5) 2.48 5.37 -4.22 2 3 0 42 354.317 6
Mid Mid (pH 6-8) 2.48 6.2 -94.3 4 3 2 45 356.333 6

Activity (Go SEA)

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