UCSF

ZINC41717269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) -0.20 3.62 -50.13 5 5 1 82 285.371 5
Lo Low (pH 4.5-6) -0.20 4.08 -87.19 6 5 2 83 286.379 5

Activity (Go SEA)

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