UCSF

ZINC34825348

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.50 10.27 -34.01 2 3 1 34 286.786 4
Hi High (pH 8-9.5) 3.50 8.9 -6.83 1 3 0 30 285.778 4
Lo Low (pH 4.5-6) 3.50 10.75 -90.84 3 3 2 36 287.794 4

Activity (Go SEA)

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