UCSF

ZINC34922150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 4.68 12.78 -13.45 1 5 0 60 425.463 6
Lo Low (pH 4.5-6) 4.68 13.01 -46.4 2 5 1 61 426.471 6

Activity (Go SEA)

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