UCSF

ZINC34605341

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 37 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) 1.03 9.17 -51.33 3 10 1 104 513.663 6
Lo Low (pH 4.5-6) 1.03 11.43 -125.75 4 10 2 105 514.671 6

Activity (Go SEA)

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