UCSF

ZINC37996415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.89 6.17 -46.91 2 4 1 48 273.356 6
Hi High (pH 8-9.5) 1.89 5.13 -8.97 1 4 0 43 272.348 6
Lo Low (pH 4.5-6) 1.89 6.66 -111.75 3 4 2 49 274.364 6

Activity (Go SEA)

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