UCSF

ZINC53133331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 0.05 4.3 -50.31 3 5 1 79 281.339 5
Hi High (pH 8-9.5) 0.05 3.97 -8.77 2 5 0 78 280.331 5
Lo Low (pH 4.5-6) 0.05 4.77 -92.06 4 5 2 81 282.347 5

Activity (Go SEA)

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