UCSF

ZINC37846109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.72 6.11 -43.25 2 5 1 44 358.304 5
Lo Low (pH 4.5-6) 1.72 8.57 -104.69 3 5 2 45 359.312 5
Lo Low (pH 4.5-6) 1.72 6.19 -44.08 2 5 1 44 358.304 5

Activity (Go SEA)

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