UCSF

ZINC36992460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.63 6.89 -40.59 2 3 1 34 296.847 3
Hi High (pH 8-9.5) 2.63 6.46 -7.4 1 3 0 30 295.839 3
Lo Low (pH 4.5-6) 2.63 7.05 -102.37 3 3 2 36 297.855 3

Activity (Go SEA)

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