UCSF

ZINC23373854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 2.92 7.54 -47.34 2 5 1 46 371.501 7
Lo Low (pH 4.5-6) 2.92 7.59 -45.04 2 5 1 46 371.501 7
Lo Low (pH 4.5-6) 2.92 9.83 -129.1 3 5 2 48 372.509 7

Activity (Go SEA)

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