UCSF

ZINC48580429

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 3.11 6.03 -13.27 1 5 0 60 332.157 1
Hi High (pH 8-9.5) 3.11 5.6 -41.62 0 5 -1 58 331.149 1
Lo Low (pH 4.5-6) 3.11 6.5 -31.44 2 5 1 61 333.165 1

Activity (Go SEA)

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