UCSF

ZINC33820497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 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) 3.46 8.6 -50.3 1 5 -1 79 349.447 11
Lo Low (pH 4.5-6) 3.46 6.62 -9.26 2 5 0 76 350.455 11

Activity (Go SEA)

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