UCSF

ZINC37068909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.09 6.94 -36.11 2 4 1 39 272.372 7
Hi High (pH 8-9.5) 2.09 4.43 -7.31 1 4 0 37 271.364 7
Lo Low (pH 4.5-6) 2.09 7.35 -75.11 3 4 2 40 273.38 7

Activity (Go SEA)

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