UCSF

ZINC35142399

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) 0.54 3.25 -40 2 4 1 40 226.344 4
Hi High (pH 8-9.5) 0.54 2.05 -7.03 1 4 0 36 225.336 4
Mid Mid (pH 6-8) 0.54 5.61 -96.94 3 4 2 41 227.352 4

Activity (Go SEA)

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