UCSF

ZINC54242085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 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) 3.25 8.57 -117.79 3 2 2 21 280.378 4
Hi High (pH 8-9.5) 3.25 7.86 -32.72 2 2 1 16 279.37 4
Mid Mid (pH 6-8) 3.25 6.89 -40.67 2 2 1 20 279.37 4

Activity (Go SEA)

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