UCSF

ZINC32101864

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 25 No

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) 5.26 6.45 -11.2 2 5 0 75 374.849 3
Hi High (pH 8-9.5) 5.72 4.68 -45.46 1 5 -1 78 373.841 3
Hi High (pH 8-9.5) 4.77 7.34 -102.12 0 5 -2 76 372.833 4
Mid Mid (pH 6-8) 5.26 7.34 -50.77 1 5 -1 78 373.841 3

Activity (Go SEA)

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