UCSF

ZINC37269520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 3.23 6.28 -37.77 2 2 1 20 235.395 6
Hi High (pH 8-9.5) 3.23 7.16 -34.49 2 2 1 16 235.395 6
Lo Low (pH 4.5-6) 3.23 8.6 -112.27 3 2 2 21 236.403 6

Activity (Go SEA)

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