UCSF

ZINC48552488

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 1.40 3.17 -97.38 0 5 -2 88 299.201 5
Lo Low (pH 4.5-6) 1.40 3.14 -45.87 1 5 -1 86 300.209 5

Activity (Go SEA)

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