UCSF

ZINC20070996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.26 6.18 -113.39 4 4 2 50 267.417 4
Hi High (pH 8-9.5) 2.26 3.77 -42.71 3 4 1 49 266.409 4
Hi High (pH 8-9.5) 2.26 5.01 -40.46 3 4 1 46 266.409 4
Hi High (pH 8-9.5) 2.26 2.6 -8.39 2 4 0 44 265.401 4

Activity (Go SEA)

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