UCSF

ZINC36804786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.36 8.38 -81.73 3 4 2 36 274.412 8
Hi High (pH 8-9.5) 1.36 7.93 -43.75 2 4 1 34 273.404 8
Lo Low (pH 4.5-6) 1.36 9.28 -114.87 3 4 2 39 274.412 8

Activity (Go SEA)

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