UCSF

ZINC52273852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.29 7.63 -44.38 2 3 1 34 216.308 3
Hi High (pH 8-9.5) 2.29 6.34 -8.65 1 3 0 29 215.3 3
Lo Low (pH 4.5-6) 2.29 8.07 -92.77 3 3 2 35 217.316 3

Activity (Go SEA)

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