UCSF

ZINC48382523

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 25 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) 2.46 7.87 -59.09 2 6 -1 98 343.403 7
Lo Low (pH 4.5-6) 2.46 5.75 -17.67 3 6 0 95 344.411 7

Activity (Go SEA)

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