UCSF

ZINC12771506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 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) 2.26 11.97 -60.58 1 4 -1 69 336.411 5
Lo Low (pH 4.5-6) 2.45 11 -27.63 2 4 0 74 337.419 5

Activity (Go SEA)

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